SCHEMBL2737142

SCHEMBL2737142

Cc1ccccc1OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ACHE P22303 2/20 0.43
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
KCNH2 Q12809 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SCN4A P35499 2/20 0.37

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
SCHEMBL29690513 1.00 TSHR (0.45) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL3820431 0.84 CA1 (0.45) TSHRALDH1A1KDM4EKCNH2CA12
SCHEMBL29428931 0.84 CA1 (0.45) TSHRALDH1A1KDM4EKCNH2CA12
SCHEMBL7192709 0.83 TSHR (0.43) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL28962643 0.82 TSHR (0.46) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL17365316 0.81 TSHR (0.42) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL8023262 0.81 TSHR (0.42) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL21497369 0.81 TSHR (0.42) TSHRMEN1NPC1RAB9AKMT2A
SCHEMBL147382 0.81 MAPT (0.47) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL31447203 0.81 TSHR (0.42) TSHRMEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670108-A Ether compounds as volatiles for treating amino acid based substrates such as skin and hair 迈图高新材料有限责任公司 2023-08-29 CN claimed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230321050-A1 Heterocyclic Compounds and Uses Thereof MILLENNIUM PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230128167-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF MABPLEX INTERNATIONAL, LTD. (CN) 2023-04-27 US disclosed
US-11547697-B2 Heterocyclic compounds and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2023-01-10 US disclosed
US-10752626-B2 Iso-citrate dehydrogenase (IDH) inhibitor SHANGHAI METON PHARMACEUTICAL CO., LTD (CN) 2020-08-25 US disclosed
EP-3429355-B1 SUBSTITUTED SULFONYLAMIDE FOR COMBATING ANIMAL PESTS BAYER CROPSCIENCE AG (DE) 2020-02-05 EP disclosed
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2019-11-21 US disclosed
US-20190256511-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR ZHEJIANG METON PHARMACEUTICAL CO., LTD (CN) 2019-08-22 US disclosed
US-20180153872-A1 HETEROARYL CARBONITRILES FOR THE TREATMENT OF DISEASE OPKO HEALTH, INC. 2018-06-07 US disclosed
US-7226950-B2 Sodium channel modulators THERAVANCE, INC. (US) 2007-06-05 US disclosed
WO-2007059359-A2 SUBSTITUTED PYRAZALONES BIOGEN IDEC MA INC. (US) 2007-05-24 WO disclosed
CN-1886411-A Process for producing phosphonium borate compound, novel phosphonium borate compound, and method of using the same HOKKO CHEM IND CO (JP) 2006-12-27 CN disclosed
EP-1313560-A4 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2005-02-09 EP disclosed
EP-1313560-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2003-05-28 EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 WO disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed
US-4654167-A p-Alkoxycyclohexylalkanols and p-alkoxycyclohexylalkyl esters and their use as scents BASF AKTIENGESELLSCHAFT (DE) 1987-03-31 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 (7 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-20230321050-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB TSHR 4257/4885MEN1 1016/4885NPC1 1284/4885
US-20190256511-A1 ISO-CITRATE DEHYDROGENASE (IDH) INHIBITOR IDH3A, IDH2, IDH1 TSHR 4426/4885MEN1 2874/4885NPC1 2029/4885
US-20230128167-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF VIP, DNPEP, PREP TSHR 2986/4885MEN1 1182/4885NPC1 2906/4885
US-11547697-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB TSHR 4257/4885MEN1 1016/4885NPC1 1284/4885
US-10752626-B2 Iso-citrate dehydrogenase (IDH) inhibitor IDH3A, IDH2, IDH1 TSHR 4426/4885MEN1 2874/4885NPC1 2029/4885
US-20180153872-A1 HETEROARYL CARBONITRILES FOR THE TREATMENT OF DISEASE CLN6, VHL, NPC1 TSHR 2509/4885MEN1 824/4885NPC1 3/4885
US-20190350906-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB TSHR 4257/4885MEN1 1016/4885NPC1 1284/4885

“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.