SCHEMBL904533

SCHEMBL904533

CCCCC(CC)COC(=O)C(=Cc1ccc(OC)cc1)CC(CC)CCCC

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 3/20 0.46
CA2 P00918 1/20 0.46
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 3/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 1/20 0.42
ATM Q13315 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
RECQL P46063 1/20 0.39
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP3 P08254 2/20 0.38

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
SCHEMBL21514726 0.89 TDP1 (0.61) TDP1ALDH1A1CYP3A4CA2TAS1R3
SCHEMBL63068 0.87 TDP1 (0.67) TDP1ALDH1A1CYP3A4CA2TAS1R3
SCHEMBL126604 0.86 TDP1 (0.56) TDP1ALDH1A1CYP3A4CA2TAS1R3
SCHEMBL5198950 0.86 TDP1 (0.56) TDP1ALDH1A1CYP3A4CA2TAS1R3
SCHEMBL17627791 0.86 TDP1 (0.56) TDP1ALDH1A1CYP3A4CA2TAS1R3
SCHEMBL2531606 0.85 TDP1 (0.65) TDP1ALDH1A1CYP3A4CA2TAS1R3
SCHEMBL8436026 0.84 TDP1 (0.64) TDP1ALDH1A1CYP3A4CA2TAS1R3
SCHEMBL8436027 0.84 TDP1 (0.64) TDP1ALDH1A1CYP3A4CA2TAS1R3
Octinoxate SCHEMBL30081040 0.84 TDP1 (0.79) TDP1ALDH1A1CYP3A4CA2TAS1R3
SCHEMBL20049917 0.83 TDP1 (0.62) TDP1ALDH1A1CYP3A4CA2TAS1R3

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 14 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
WO-2011163317-A2 POLYMERIZABLE CARBAMATE AND THIOCARBAMATE COMPOUNDS, POLYMERS DERIVED FROM THEM, AND COMPOSITIONS THEREOF ISP INVESTMENTS INC. (US) 2011-12-29 WO 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 1084/4885ALDH1A1 1560/4885CYP3A4 1446/4885
US-10899919-B2 4- and 5-substituted 1,2,3-triazole, and regioisomer mixtures thereof, modified polymers MGAT3, MYOC, MLEC TDP1 1207/4885ALDH1A1 1170/4885CYP3A4 115/4885
US-20150051352-A1 MULTI-FUNCTIONAL GRAFTED POLYMERS PAICS, ODC1, GANC TDP1 4068/4885ALDH1A1 744/4885CYP3A4 3794/4885
US-20150044161-A1 MULTIFUNCTIONAL POLYMERS PUF60, PARG, PARN TDP1 2910/4885ALDH1A1 3833/4885CYP3A4 4729/4885
US-20160152814-A1 4- AND 5-SUBSTITUTED 1,2,3-TRIAZOLE, AND REGIOISOMER MIXTURES THEREOF, MODIFIED POLYMERS MGAT3, MYOC, MLEC TDP1 1207/4885ALDH1A1 1170/4885CYP3A4 115/4885
US-10087273-B2 Multifunctional polymers PUF60, PARG, PARN TDP1 2910/4885ALDH1A1 3833/4885CYP3A4 4729/4885

“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.