SCHEMBL14841129

SCHEMBL14841129

CCCCC(CC)CC(C(=O)O)=C(CC(CC)CCCC)c1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
NR1I2 O75469 1/20 0.42
MMP9 P14780 3/20 0.42
MMP13 P45452 3/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MMP1 P03956 3/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS2 P35354 1/20 0.40
CA2 P00918 2/20 0.40

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
SCHEMBL3176164 0.89 TDP1 (0.48) TDP1TAS1R3TAS1R1NR1I2MMP9
SCHEMBL16552935 0.78 TDP1 (0.50) TDP1TAS1R3TAS1R1MMP9MMP13
SCHEMBL15968288 0.78 TDP1 (0.50) TDP1TAS1R3TAS1R1MMP9MMP13
SCHEMBL63069 0.75 TAS1R3 (0.42) TDP1TAS1R3TAS1R1MMP9MMP13
SCHEMBL126604 0.75 TDP1 (0.56) TDP1TAS1R3TAS1R1MMP9MMP13
SCHEMBL17627791 0.75 TDP1 (0.56) TDP1TAS1R3TAS1R1MMP9MMP13
SCHEMBL5198950 0.75 TDP1 (0.56) TDP1TAS1R3TAS1R1MMP9MMP13
SCHEMBL30146881 0.74 ALDH1A1 (0.46) HDAC3HDAC1HDAC2ALDH1A1CYP3A4
SCHEMBL755213 0.74 ALDH1A1 (0.46) HDAC3HDAC1HDAC2MMP1ALDH1A1
SCHEMBL7605462 0.74 ALDH1A1 (0.46) HDAC3HDAC1HDAC2MMP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10899919-B2 4- and 5-substituted 1,2,3-triazole, and regioisomer mixtures thereof, modified polymers ISP INVESTMENTS LLC (US) 2021-01-26 US disclosed
US-10087273-B2 Multifunctional polymers ISP INVESTMENTS LLC (US) 2018-10-02 US disclosed
US-10081757-B2 Shale swelling inhibitors ISP INVESTMENTS LLC (US) 2018-09-25 US disclosed
US-9505862-B2 Polymers containing an acetoacetate moiety ISP INVESTMENTS LLC (US) 2016-11-29 US disclosed
US-9464151-B2 Lactamic polymer containing an acetoacetate moiety ISP INVESTMENTS LLC (US) 2016-10-11 US disclosed
US-20160152814-A1 4- AND 5-SUBSTITUTED 1,2,3-TRIAZOLE, AND REGIOISOMER MIXTURES THEREOF, MODIFIED POLYMERS ISP INVESTMENTS INC. (US) 2016-06-02 US disclosed
US-20150344767-A1 SHALE SWELLING INHIBITORS ISP INVESTMENTS INC. (US) 2015-12-03 US disclosed
US-20150051352-A1 MULTI-FUNCTIONAL GRAFTED POLYMERS ISP INVESTMENTS INC. 2015-02-19 US disclosed
US-20150044161-A1 MULTIFUNCTIONAL POLYMERS ISP INVESTMENTS INC. (US) 2015-02-12 US disclosed
US-8946367-B2 Polymerizable carbamate and thiocarbamate compounds, polymers derived from them, and compositions thereof ISP INVESTMENTS INC. (US) 2015-02-03 US disclosed
US-20150005465-A1 POLYMERS CONTAINING AN ACETOACETATE MOIETY AVOCA LLC 2015-01-01 US disclosed
US-20140296441-A1 LACTAMIC POLYMER CONTAINING AN ACETOACETATE MOIETY ISP INVESTMENTS INC (US) 2014-10-02 US disclosed
US-20130090443-A1 POLYMERIZABLE CARBAMATE AND THIOCARBAMATE COMPOUNDS, POLYMERS DERIVED FROM THEM, AND COMPOSITIONS THEREOF ISP INVESTMENTS INC. (US) 2013-04-11 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 (6 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-20130090443-A1 POLYMERIZABLE CARBAMATE AND THIOCARBAMATE COMPOUNDS, POLYMERS DERIVED FROM THEM, AND COMPOSITIONS THEREOF CUTA, CTH, ACOT7 TDP1 1084/4885TAS1R3 285/4885TAS1R1 270/4885
US-10899919-B2 4- and 5-substituted 1,2,3-triazole, and regioisomer mixtures thereof, modified polymers MGAT3, MYOC, MLEC TDP1 1207/4885TAS1R3 155/4885TAS1R1 181/4885
US-20150051352-A1 MULTI-FUNCTIONAL GRAFTED POLYMERS PAICS, ODC1, GANC TDP1 4068/4885TAS1R3 1750/4885TAS1R1 1380/4885
US-20150044161-A1 MULTIFUNCTIONAL POLYMERS PUF60, PARG, PARN TDP1 2910/4885TAS1R3 984/4885TAS1R1 1403/4885
US-20160152814-A1 4- AND 5-SUBSTITUTED 1,2,3-TRIAZOLE, AND REGIOISOMER MIXTURES THEREOF, MODIFIED POLYMERS MGAT3, MYOC, MLEC TDP1 1207/4885TAS1R3 155/4885TAS1R1 181/4885
US-10087273-B2 Multifunctional polymers PUF60, PARG, PARN TDP1 2910/4885TAS1R3 984/4885TAS1R1 1403/4885

“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.