SCHEMBL112625

SCHEMBL112625

Oc1c(F)ccc2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.58
KDM4E B2RXH2 3/20 0.58
LMNA P02545 3/20 0.58
TSHR P16473 2/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
GMNN O75496 1/20 0.58
HSP90AA1 P07900 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
MMP9 P14780 1/20 0.58
ALOX15 P16050 1/20 0.58
NFKB1 P19838 1/20 0.58
MMP8 P22894 1/20 0.58
CCR1 P32246 1/20 0.58
THPO P40225 1/20 0.58
MTOR P42345 1/20 0.58
HTT P42858 1/20 0.58
MMP13 P45452 1/20 0.58
CCR5 P51681 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4063648 0.79 MMP2 (0.63) MMP2KDM4ELMNATSHRTP53
SCHEMBL3562790 0.79 LMNA (0.62) MMP2KDM4ELMNATSHRTP53
SCHEMBL29801849 0.79 LMNA (0.62) MMP2KDM4ELMNATSHRTP53
SCHEMBL8585888 0.78 LMNA (0.60) MMP2KDM4ELMNATSHRTP53
SCHEMBL24876405 0.76 LMNA (0.58) MMP2KDM4ELMNATSHRTP53
SCHEMBL623096 0.76 LMNA (0.63) MMP2KDM4ELMNATSHRTP53
SCHEMBL114706 0.76 KDM4E (0.58) MMP2KDM4ELMNATSHRTP53
SCHEMBL10087891 0.76 HSP90AA1 (0.58) MMP2KDM4ELMNATSHRTP53
SCHEMBL14596487 0.76 KDM4E (0.58) MMP2KDM4ELMNATSHRTP53
SCHEMBL113907 0.76 LMNA (0.58) MMP2KDM4ELMNATSHRTP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 196 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084897-A Iron ion detection reagent and preparation method and application thereof 河南省氟基新材料科技有限公司 2024-05-28 CN claimed
US-10729630-B2 Shaping keratin fibres using an active agent comprising at least two functional groups selected from: —C(OH)- and —C(=O)OH THE PROCTER & GAMBLE COMPANY (US) 2020-08-04 US claimed
CN-105828786-B Shaping keratin fibres using AN AN active agent comprising a functional group selected from-C (═ O) -, -C (═ O) -H and-C (═ O) -O-) 宝洁公司 2020-07-07 CN claimed
CN-111162313-A Polymer electrolyte and lithium ion battery 珠海冠宇电池有限公司 2020-05-15 CN claimed
EP-3082494-B1 METHOD FOR SHAPING FIBROUS MATERIAL PROCTER & GAMBLE (US) 2018-12-05 EP claimed
EP-3082746-B1 SHAPING KERATIN FIBRES USING AN AMINE OR A DIAMINE PROCTER & GAMBLE (US) 2018-11-28 EP claimed
EP-3082736-B1 SHAPING KERATIN FIBRES USING 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACID AND/OR 1,2,3,4-BUTANETETRACARBOXYLIC ACID PROCTER & GAMBLE (US) 2018-08-08 EP claimed
EP-3082747-B1 SHAPING KERATIN FIBRES USING A SUGAR PROCTER & GAMBLE (US) 2018-07-04 EP claimed
EP-3082731-B1 SHAPING KERATIN FIBRES USING AN ACTIVE AGENT COMPRISING AT LEAST TWO FUNCTIONAL GROUPS SELECTED FROM: -C(OH)- AND -C(=O)OH PROCTER & GAMBLE (US) 2018-07-04 EP claimed
EP-3082735-B1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF PROCTER & GAMBLE (US) 2018-05-02 EP claimed
US-20150174432-A1 Methods for Shaping Fibrous Material and Treatment Compositions Therefor THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174023-A1 SHAPING KERATIN FIBRES USING A REDUCING COMPOSITION AND A FIXING COMPOSITION THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174027-A1 SHAPING KERATIN FIBRES USING AN AMINE OR A DIAMINE THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174031-A1 SHAPING KERATIN FIBRES USING 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACID AND/OR 1,2,3,4-BUTANETETRACARBOXYLIC ACID THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174035-A1 Methods for Shaping Fibrous Material and Treatment Compositions Therefor THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174036-A1 SHAPING KERATIN FIBRES USING A SUGAR THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174793-A1 Methods for Shaping Fibrous Material and Treatment Compositions Therefor THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174030-A1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174032-A1 SHAPING KERATIN FIBRES USING CARBONATE ESTER THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed
US-20150174028-A1 SHAPING KERATIN FIBRES USING AN ACTIVE AGENT COMPRISING A FUNCTIONAL GROUP SELECTED FROM THE GROUP CONSISTING OF: -C(=O)-, -C(=O)-H, AND -C(=O)-O- THE PROCTER & GAMBLE COMPANY 2015-06-25 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150174028-A1 SHAPING KERATIN FIBRES USING AN ACTIVE AGENT COMPRISING A FUNCTIONAL GROUP SELECTED FROM THE GROUP CONSISTING OF: -C(=O)-, -C(=O)-H, AND -C(=O)-O- KRT18, PRKCH, CKAP4 MMP2 860/4885KDM4E 265/4885LMNA 415/4885
US-20150174023-A1 SHAPING KERATIN FIBRES USING A REDUCING COMPOSITION AND A FIXING COMPOSITION KRT18, SMCHD1, KDM7A MMP2 1105/4885KDM4E 31/4885LMNA 743/4885
US-10729630-B2 Shaping keratin fibres using an active agent comprising at least two functional groups selected from: —C(OH)- and —C(=O)OH KRT18, CKAP4, JUP MMP2 549/4885KDM4E 181/4885LMNA 774/4885
US-20150174036-A1 SHAPING KERATIN FIBRES USING A SUGAR KRT18, CKAP4, HKDC1 MMP2 569/4885KDM4E 150/4885LMNA 1030/4885
US-20150174027-A1 SHAPING KERATIN FIBRES USING AN AMINE OR A DIAMINE KRT18, MARK2, MARK4 MMP2 1027/4885KDM4E 27/4885LMNA 620/4885
US-20150174031-A1 SHAPING KERATIN FIBRES USING 2-HYDROXYPROPANE-1,2,3-TRICARBOXYLIC ACID AND/OR 1,2,3,4-BUTANETETRACARBOXYLIC ACID KRT18, HKDC1, COL2A1 MMP2 515/4885KDM4E 249/4885LMNA 1034/4885
US-20150174432-A1 Methods for Shaping Fibrous Material and Treatment Compositions Therefor WASF2, MFAP1, WEE1 MMP2 911/4885KDM4E 2830/4885LMNA 197/4885
US-20150174030-A1 SHAPING KERATIN FIBRES USING OXOETHANOIC ACID AND/OR DERIVATIVES THEREOF KRT18, KDM7A, FTO MMP2 706/4885KDM4E 64/4885LMNA 1708/4885
US-20150174032-A1 SHAPING KERATIN FIBRES USING CARBONATE ESTER KRT18, CKAP4, COL14A1 MMP2 680/4885KDM4E 46/4885LMNA 313/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.