SCHEMBL701703

SCHEMBL701703

CC(C)(C)c1ccc(C(C)(C)C)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
ALDH1A1 P00352 8/20 0.41
LMNA P02545 3/20 0.39
TYR P14679 1/20 0.39
KIF11 P52732 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
DGAT1 O75907 1/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
POLB P06746 3/20 0.35
HTT P42858 2/20 0.35
ALOX15 P16050 2/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL25569493 0.87 TSHR (0.44) TSHRALDH1A1LMNATYRKIF11
SCHEMBL20033214 0.85 TSHR (0.38) TSHRALDH1A1LMNATYRKIF11
SCHEMBL24926243 0.84 TSHR (0.34) TSHRALDH1A1LMNALOXL2RAB9A
SCHEMBL22002106 0.84 ALOX5AP (0.39) TSHRALDH1A1KIF11LOXL2DGAT1
SCHEMBL14327692 0.84 ALOX5AP (0.39) TSHRALDH1A1KIF11LOXL2DGAT1
SCHEMBL20712779 0.84 TSHR (0.36) TSHRALDH1A1LMNATYRKIF11
SCHEMBL77362 0.84 TRPV4 (0.54) TSHRALDH1A1LMNATYRKIF11
SCHEMBL21728746 0.84 TSHR (0.36) TSHRALDH1A1LMNATYRKIF11
SCHEMBL20712281 0.84 ALDH1A1 (0.38) TSHRALDH1A1LMNATYRKIF11
SCHEMBL803453 0.84 KMT2A (0.44) TSHRALDH1A1LMNARAB9AKDM4E

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 1180 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112094300-A Dicyano tetra-tert-butyl pyridine ruthenium metal organic compound, preparation method and application thereof 荆楚理工学院 2020-12-18 CN claimed
US-8697820-B2 Process for preparing high-reactivity isobutene homo- or copolymers BASF SE (DE) 2014-04-15 US claimed
US-8257493-B2 Photonic crystal, conjugated polymers suitable for photonic crystal, and a method for synthesizing conjugated polymers THE UNIVERSITY OF AKRON (US) 2012-09-04 US claimed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 US disclosed
US-20240228490-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20240228490-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20240226107-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR HAINAN SIMCERE ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-20240226107-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR HAINAN SIMCERE ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2024-07-11 US disclosed
US-12035618-B2 Electroluminescent devices UNIVERSAL DISPLAY CORPORATION (US) 2024-07-09 US disclosed
US-20020161153-A1 Polarizable photoactive and electroactive polymers and light emitting devices BAO ZHENAN (US) 2002-10-31 US disclosed
US-6383665-B1 POLYPHENYLENEVINYLENES, POLYTHIOPHENES, POLYFURANS, POLYPYRIDINES AND POLYACETYLENES; THERMOTROPIC AND LYOTROPIC LIQUID CRYSTAL POLYMERS LUCENT TECHNOLOGIES INC. 2002-05-07 US disclosed
CN-1042026-C 25Carboxylic derivative of vitamin D series, middle products in production of same and pharmaceutical containing same and use of same in treatment SCHERING AG (DE) 1999-02-10 CN disclosed
EP-0663902-B1 25-CARBOXYLIC ACID DERIVATIVES IN THE VITAMIN D SERIES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN THE MANUFACTURE OF MEDICINES SCHERING AG (DE) 1998-03-11 EP disclosed
US-5583125-A SKIN DISORDERS, ANTITUMOR AGENTS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 1996-12-10 US disclosed
WO-1995031489-A1 CARBOCATIONIC CATALYSTS AND PROCESS FOR USING SAID CATALYSTS EXXON CHEMICAL PATENTS INC. (US) 1995-11-23 WO disclosed
EP-0663902-A1 25-CARBOXYLIC ACID DERIVATIVES IN THE VITAMIN D SERIES, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN THE MANUFACTURE OF MEDICINES SCHERING AKTIENGESELLSCHAFT (DE) 1995-07-26 EP disclosed
CN-1094034-A 25 carboxylic acid derivative of vitamin D series, its method for making and intermediate product, contain the medicine of this derivative and medicinal SCHERING AG (DE) 1994-10-26 CN disclosed
WO-1994007853-A1 25-CARBOXYLIC ACID DERIVATIVES IN THE VITAMIN D SERIES, METHOD OF PRODUCING THEM, INTERMEDIATE PRODUCTS FOR THIS METHOD, PHARMACEUTICAL PREPARATIONS CONTAINING THESE DERIVATIVES AND THEIR USE IN THE MANUFACTURE OF MEDICINES SCHERING AKTIENGESELLSCHAFT (DE) 1994-04-14 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 (5 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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 TSHR 2988/4885ALDH1A1 98/4885LMNA 1598/4885
US-20240228490-A1 HETEROCYCLIC DERIVATIVE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WEE1, CYP51A1, WEE2 TSHR 4671/4885ALDH1A1 252/4885LMNA 1581/4885
US-12035618-B2 Electroluminescent devices ELAVL1, ELAVL3, JUND TSHR 4120/4885ALDH1A1 1948/4885LMNA 2563/4885
US-20240226107-A1 UBIQUITIN-SPECIFIC PROTEASE 1 (USP1) INHIBITOR USP1, USP2, USP3 TSHR 4093/4885ALDH1A1 582/4885LMNA 3658/4885
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 TSHR 909/4885ALDH1A1 245/4885LMNA 1948/4885

“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.