SCHEMBL3685914

SCHEMBL3685914

C#Cc1ccc(CCCCCC)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ESR1 P03372 2/20 0.35

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
SCHEMBL3083464 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL28748436 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL9049427 0.93 MAPT (0.41) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL17088436 0.90 ALDH1A1 (0.35) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL14533587 0.87 MEN1 (0.35) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL3088005 0.84 ALDH1A1 (0.37) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL9003751 0.82 POLB (0.39) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL8923831 0.80 ESR1 (0.45) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL14111397 0.79 DPP4 (0.38) ALDH1A1HSD17B10MEN1USP2MAPT
SCHEMBL3074316 0.79 DPP4 (0.38) ALDH1A1HSD17B10MEN1USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646528-A Soluble bithiophene derivative and preparation and application thereof 中国中化股份有限公司 2016-06-08 CN claimed
US-11174211-B2 Aryl compounds and polymers and methods of making and using the same NEVADA RESEARCH & INNOVATION CORPORATION (US) 2021-11-16 US disclosed
US-20200331831-A1 ARYL COMPOUNDS AND POLYMERS AND METHODS OF MAKING AND USING THE SAME BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, (US) 2020-10-22 US disclosed
US-10550056-B2 Aryl compounds and polymers and methods of making and using the same BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2020-02-04 US disclosed
WO-2016149633-A1 ARYL COMPOUNDS AND POLYMERS AND METHODS OF MAKING AND USING THE SAME BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2016-09-22 WO disclosed
CN-105646528-A Soluble bithiophene derivative and preparation and application thereof 中国中化股份有限公司 2016-06-08 CN disclosed
US-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 US disclosed
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK 2010-04-29 US disclosed
WO-2008109991-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2008-09-18 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 (4 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-20200331831-A1 ARYL COMPOUNDS AND POLYMERS AND METHODS OF MAKING AND USING THE SAME AHR, TYR, PAH ALDH1A1 187/4885HSD17B10 1242/4885MEN1 4482/4885
US-20100105900-A1 INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 ALDH1A1 236/4885HSD17B10 112/4885MEN1 3665/4885
US-11174211-B2 Aryl compounds and polymers and methods of making and using the same AHR, TYR, PAH ALDH1A1 187/4885HSD17B10 1242/4885MEN1 4482/4885
US-10550056-B2 Aryl compounds and polymers and methods of making and using the same AHR, TYR, PAH ALDH1A1 187/4885HSD17B10 1242/4885MEN1 4482/4885

“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.