SCHEMBL12037745

SCHEMBL12037745

Cc1cc2cccc(C=O)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 1/20 0.40
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
ERN1 O75460 2/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2A6 P11509 2/20 0.38
DAO P14920 1/20 0.38
DDO Q99489 1/20 0.38
MAPT P10636 2/20 0.36

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
SCHEMBL18000155 0.81 KDM4E (0.38) KDM4EGAAALDH1A1SMN1; SMN2HTT
SCHEMBL12777896 0.79 CYP2A6 (0.43) ALDH1A1TSHRTRIM24TRIM33ERN1
SCHEMBL3633987 0.74 ERN1 (0.40) KDM4EGAAALDH1A1SMN1; SMN2HTT
SCHEMBL1093711 0.74 DAO (0.56) KDM4EGAAALDH1A1SMN1; SMN2HTT
SCHEMBL30712834 0.74 DAO (0.56) KDM4EGAAALDH1A1SMN1; SMN2HTT
SCHEMBL26932454 0.74 KDM4E (0.39) KDM4EGAAALDH1A1SMN1; SMN2HTT
SCHEMBL6521130 0.74 HPGD (0.57) KDM4EALDH1A1TSHRHPGDERN1
SCHEMBL14337187 0.74 ALDH1A1 (0.39) KDM4EGAAALDH1A1SMN1; SMN2HTT
SCHEMBL6517379 0.73 XDH (0.50) KDM4EGAAALDH1A1ERN1LMNA
SCHEMBL19705440 0.72 KDM4E (0.42) KDM4EGAAALDH1A1SMN1; SMN2HTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114891063-B Liquid phase synthesis method of palmitoyl tripeptide-1 浙江湃肽生物股份有限公司 2023-06-13 CN claimed
CN-114891063-A Liquid phase synthesis method of palmitoyl tripeptide-1 浙江湃肽生物股份有限公司 2022-08-12 CN claimed
CN-114891063-B Liquid phase synthesis method of palmitoyl tripeptide-1 浙江湃肽生物股份有限公司 2023-06-13 CN disclosed
CN-114891063-B Liquid phase synthesis method of palmitoyl tripeptide-1 浙江湃肽生物股份有限公司 2023-06-13 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114891063-A Liquid phase synthesis method of palmitoyl tripeptide-1 浙江湃肽生物股份有限公司 2022-08-12 CN disclosed
CN-114891063-A Liquid phase synthesis method of palmitoyl tripeptide-1 浙江湃肽生物股份有限公司 2022-08-12 CN disclosed
US-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 US disclosed
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 US disclosed

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

For each of this compound's patents that has machine-readable text (2 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-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS IL23R, IL2, IL17A KDM4E 4325/4885GAA 2272/4885ALDH1A1 1291/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 KDM4E 1308/4885GAA 2654/4885ALDH1A1 1688/4885

“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.