SCHEMBL9967701

SCHEMBL9967701

CCn1ccc(C(C)C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
IDH1 O75874 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
RAB9A P51151 7/20 0.34
NPC1 O15118 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
JMJD6 Q6NYC1 1/20 0.32
MAPT P10636 1/20 0.32
KCNH2 Q12809 1/20 0.31
MAPK1 P28482 1/20 0.31
EPHX2 P34913 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1H O95180 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31

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
SCHEMBL18460721 0.83 ALDH1A1 (0.37) ALDH1A1IDH1CYP1A2CYP2D6CYP2C9
SCHEMBL20738448 0.83 ALDH1A1 (0.34) ALDH1A1IDH1CYP1A2CYP2D6CYP2C9
SCHEMBL13228826 0.83 ALDH1A1 (0.34) ALDH1A1IDH1CYP1A2CYP2D6CYP2C9
SCHEMBL25986458 0.83 IDH1 (0.36) ALDH1A1IDH1CYP1A2CYP2D6CYP2C9
SCHEMBL10080926 0.83 HSP90AA1 (0.33) ALDH1A1GAAHSP90AA1HSP90AB1
SCHEMBL23267718 0.83 ALDH1A1 (0.34) ALDH1A1IDH1CYP1A2CYP2D6CYP2C9
SCHEMBL13792445 0.83 CACNA1G (0.31) CACNA1GCACNA1HCACNA1I
SCHEMBL19608885 0.81 CACNA1G (0.30) CACNA1GCACNA1HCACNA1I
SCHEMBL2186518 0.81 CACNA1G (0.33) ALDH1A1CACNA1GCACNA1HCACNA1IGAA
SCHEMBL16077753 0.81 CACNA1G (0.33) CACNA1GCACNA1HCACNA1I

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250382304-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS NUVALENT INC (US) 2025-12-18 US disclosed
US-12275742-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents NUVALENT, INC. (US) 2025-04-15 US disclosed
US-20240208983-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 VANDERBILT UNIVERSITY 2024-06-27 US disclosed
WO-2024020458-A1 METHOD OF TREATING ORGAN DISEASES OR DISORDERS WITH ASK1 INHIBITORS Seal Rock Therapeutics, Inc. (US) 2024-01-25 WO disclosed
WO-2024008941-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2024-01-11 WO disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
WO-2023196601-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
WO-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 WO disclosed
EP-3774775-B1 4-OXO-3,4-DIHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-10-11 EP disclosed
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2011-09-22 US disclosed
EP-1710234-B1 MALONONITRILE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2011-07-13 EP disclosed
US-20110166139-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20110166139-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
US-20100063088-A1 Raf Kinase Inhibitors WOOD JILL E 2010-03-11 US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
US-20090186869-A1 Antiviral compounds GILEAD SCIENCES, INC. (US) 2009-07-23 US disclosed
EP-2070923-A1 Insecticide iminoheterocycles Bayer CropScience AG (DE) 2009-06-17 EP 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 (11 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-20230322747-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF HDAC6, HDAC1, HDAC11 ALDH1A1 755/4885IDH1 1029/4885CYP1A2 4090/4885
US-20100063088-A1 Raf Kinase Inhibitors BRAF, RAF1, ARAF ALDH1A1 2732/4885IDH1 1164/4885CYP1A2 4647/4885
US-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2504/4885IDH1 492/4885CYP1A2 678/4885
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 ALDH1A1 511/4885IDH1 1840/4885CYP1A2 374/4885
US-20240208983-A1 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR 2 GRM2, GRM1, GRM3 ALDH1A1 2776/4885IDH1 2551/4885CYP1A2 1995/4885
US-12275742-B2 Heteroaromatic macrocyclic ether chemotherapeutic agents CYP2C8, ABCB1, PAICS ALDH1A1 1313/4885IDH1 116/4885CYP1A2 129/4885
US-20110230350-A1 ARYL-AND HETARYLSULFONAMIDES AS ACTIVE INGREDIENTS AGAINST ABIOTIC PLANT STRESS STS, ARSA, TST ALDH1A1 1980/4885IDH1 1226/4885CYP1A2 129/4885
US-20250382304-A1 HETEROAROMATIC MACROCYCLIC ETHER CHEMOTHERAPEUTIC AGENTS CYP2C8, ABCB1, PAICS ALDH1A1 1313/4885IDH1 116/4885CYP1A2 129/4885
US-20090186869-A1 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885IDH1 1551/4885CYP1A2 3826/4885
US-20110166139-A1 PYRIDINE COMPOUNDS PTK2, PTK2B, PFKP ALDH1A1 2505/4885IDH1 1490/4885CYP1A2 4508/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 ALDH1A1 1619/4885IDH1 3656/4885CYP1A2 878/4885

“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.