SCHEMBL21451256

SCHEMBL21451256

CC(C)(C)CNc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 3/20 0.56
NOX4 Q9NPH5 2/20 0.56
RGS12 O14924 1/20 0.56
EGFR P00533 1/20 0.56
LCK P06239 1/20 0.56
CAMKK2 Q96RR4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4C Q9H3R0 5/20 0.55
PPARA Q07869 1/20 0.51
STING1 Q86WV6 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
PTPN5 P54829 1/20 0.50
HPGD P15428 1/20 0.50
POLB P06746 1/20 0.49
CYP2D6 P10635 1/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL21451252 0.87 BCL2L1 (0.50) ALDH1A1MAPTNOX4RGS12EGFR
SCHEMBL17849006 0.81 KDM4C (0.63) ALDH1A1MAPTNOX4RGS12EGFR
SCHEMBL12862660 0.79 ALDH1A1 (0.57) ALDH1A1MAPTNOX4RGS12EGFR
SCHEMBL156253 0.78 ALDH1A1 (0.60) ALDH1A1MAPTNOX4RGS12EGFR
SCHEMBL28944697 0.76 ALDH1A1 (0.55) ALDH1A1MAPTNOX4RGS12EGFR
SCHEMBL4575689 0.76 ALDH1A1 (0.55) ALDH1A1MAPTNOX4RGS12EGFR
SCHEMBL727904 0.75 KDM4C (0.57) ALDH1A1MAPTNOX4RGS12EGFR
SCHEMBL15339785 0.75 ALDH1A1 (0.57) ALDH1A1MAPTNOX4RGS12EGFR
SCHEMBL10767712 0.75 KAT8 (0.56) ALDH1A1MAPTNOX4RGS12EGFR
SCHEMBL18331069 0.75 CA1 (0.59) ALDH1A1MAPTNOX4RGS12EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210387941-A1 Diphenyl-like Compound, Intermediate Thereof, Preparation Method Therefor, Pharmaceutical Composition Thereof And Uses Thereof SHANGHAI MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2021-12-16 US disclosed
US-11078192-B2 Aromatic acetylene or aromatic ethylene compound, intermediate, preparation method, pharmaceutical composition and use thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. 2021-08-03 US disclosed
US-20190308957-A1 AROMATIC ACETYLENE OR AROMATIC ETHYLENE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD (CN) 2019-10-10 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 (3 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-20210387941-A1 Diphenyl-like Compound, Intermediate Thereof, Preparation Method Therefor, Pharmaceutical Composition Thereof And Uses Thereof CD274, PDCD1LG2, PDCD1 ALDH1A1 48/4885MAPT 1667/4885NOX4 2608/4885
US-20190308957-A1 AROMATIC ACETYLENE OR AROMATIC ETHYLENE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDCD1, CD274, PDCD1LG2 ALDH1A1 35/4885MAPT 408/4885NOX4 4553/4885
US-11078192-B2 Aromatic acetylene or aromatic ethylene compound, intermediate, preparation method, pharmaceutical composition and use thereof PDCD1, CD274, PDCD1LG2 ALDH1A1 35/4885MAPT 408/4885NOX4 4553/4885

“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.