SCHEMBL445400

SCHEMBL445400

CC(C)(C)c1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.56
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.44
TYR P14679 1/20 0.44
HTR1D P28221 1/20 0.42
ADRA1A P35348 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
XDH P47989 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.37
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.37
MITF O75030 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IKBKB O14920 1/20 0.37
DGAT1 O75907 1/20 0.36
NOTUM Q6P988 1/20 0.36

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
SCHEMBL67105 1.00 KIF11 (0.56) KIF11TSHRLMNATYRHTR1D
SCHEMBL29050790 0.84 RXRB (0.53) KIF11KDM4E
SCHEMBL21735 0.84 TSHR (0.48) KIF11TSHRLMNATYRNPC1
Water SCHEMBL28104416 0.84 TSHR (0.48) KIF11TSHRLMNATYRNPC1
SCHEMBL26915 0.84 KIF11 (0.70) KIF11TSHRLMNATYRHTR1D
SCHEMBL3423876 0.84 KIF11 (0.70) KIF11TSHRLMNATYRHTR1D
SCHEMBL5823988 0.83 NPC1 (0.60) KIF11XDHNPC1RAB9AKDM4E
SCHEMBL27420151 0.81 TSHR (0.46) KIF11TSHRLMNATYRNPC1
SCHEMBL27389069 0.81 TSHR (0.46) KIF11TSHRLMNATYRNPC1
SCHEMBL27497107 0.81 TSHR (0.46) KIF11TSHRLMNATYRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115703802-A Boron-containing organic compound and application thereof 北京鼎材科技有限公司 2023-02-17 CN claimed
EP-3606971-B1 REACTIVE FLAME RETARDANT BLENDS FOR FLEXIBLE POLYURETHANE FOAM ICL IP AMERICA INC (US) 2022-01-12 EP claimed
US-20200181359-A1 REACTIVE FLAME RETARDANT BLENDS FOR FLEXIBLE POLYURETHANE FOAM ICL IP AMERICA INC (US) 2020-06-11 US claimed
US-10597511-B2 Reactive flame retardant blends for flexible polyurethane foam ICL-IP AMERICA INC. (US) 2020-03-24 US claimed
EP-3606971-A1 REACTIVE FLAME RETARDANT BLENDS FOR FLEXIBLE POLYURETHANE FOAM ICL-IP America Inc. (US) 2020-02-12 EP claimed
WO-2019060035-A1 REACTIVE FLAME RETARDANT BLENDS FOR FLEXIBLE POLYURETHANE FOAM ICL-IP AMERICA INC. (US) 2019-03-28 WO claimed
US-20190085151-A1 REACTIVE FLAME RETARDANT BLENDS FOR FLEXIBLE POLYURETHANE FOAM ICL-IP AMERICA INC. 2019-03-21 US claimed
EP-2786985-B1 Antagonists of the glucagon receptor METABASIS THERAPEUTICS INC (US) 2018-11-28 EP claimed
WO-2017078927-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2017-05-11 WO claimed
EP-3116851-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING Salk Institute for Biological Studies (US) 2017-01-18 EP claimed
US-7026346-B2 Compounds and methods for inducing apoptosis in proliferating cells THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-04-11 US claimed
EP-1499597-A4 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS UNIV OHIO STATE RES FOUND (US) 2006-01-25 EP claimed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP claimed
WO-2005044130-A1 PDK-1/AKT SIGNALING INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-05-19 WO claimed
EP-1499597-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-01-26 EP claimed
EP-1153099-B1 COMPRESSION HEAT TRANSFER SYSTEM COMPRISING HYDROFLUOROCARBON (HFC) REFRIGERANTS LUBRIZOL CORP (US) 2004-09-29 EP claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO claimed
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells NIH - DEITR 2003-12-25 US claimed
WO-2003086287-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2003-10-23 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 KIF11 3454/4885TSHR 478/4885LMNA 75/4885
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD KIF11 1623/4885TSHR 3239/4885LMNA 1895/4885

“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.