SCHEMBL1102403

SCHEMBL1102403

Cc1ccc2cc(C(C)C)ccc2n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.59
LMNA P02545 2/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
CASP6 P55212 1/20 0.55
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SCN4A P35499 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PSMB5 P28074 1/20 0.43
PDE10A Q9Y233 1/20 0.41
KDM1A O60341 1/20 0.41
TRPA1 O75762 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1C Q13936 1/20 0.39
TYR P14679 1/20 0.39
UGT2B7 P16662 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL17257443 0.86 CYP1A2 (0.57) CYP1A2LMNAKDM4EPOLBCASP6
SCHEMBL12436949 0.85 CYP1A2 (0.52) CYP1A2LMNAKDM4EPOLBCASP6
SCHEMBL24654879 0.85 CYP1A2 (0.55) CYP1A2LMNAKDM4EPOLBCASP6
SCHEMBL31201745 0.85 CYP1A2 (0.55) CYP1A2LMNAKDM4EPOLBCASP6
SCHEMBL24253561 0.85 CYP1A2 (0.55) CYP1A2LMNAKDM4EPOLBCASP6
SCHEMBL27684616 0.80 CYP1A2 (0.50) CYP1A2LMNAKDM4EPOLBCASP6
SCHEMBL27684617 0.80 CYP1A2 (0.50) CYP1A2LMNAKDM4EPOLBCASP6
SCHEMBL889349 0.80 NPC1 (0.43) CYP1A2LMNAKDM4EPOLBCASP6
SCHEMBL21195656 0.80 NPC1 (0.43) CYP1A2LMNAKDM4ERAB9ANPC1
SCHEMBL10122186 0.80 NPC1 (0.43) CYP1A2LMNAKDM4ERAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
EP-4249486-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2023-09-27 EP disclosed
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NUVATION BIO OPERATING COMPANY INC (US) 2022-07-14 US disclosed
US-20220153724-A1 Inhibitors Of Plasma Kallikrein KALVISTA PHARMACEUTICALS LTD (GB) 2022-05-19 US disclosed
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 US disclosed
US-11242333-B2 Inhibitors of plasma kallikrein KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-08 US disclosed
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS NUVATION BIO INC (US) 2021-09-23 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20070232648-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070232648-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed
EP-0818512-B1 Quinoline derivative and use of same MITSUI CHEMICALS INC (JP) 2002-10-02 EP disclosed
US-6407242-B1 REACTING A PHTHALIMIDE COMPOUND WITH A QUINOLINE COMPOUND;ELECTROLUMINESCENCE MITSUI CHEMICALS, INC. (JP) 2002-06-18 US disclosed
US-6132640-A ZINC COMPLEXES OF QUINOLINE MITSUI CHEMICALS, INC. (JP) 2000-10-17 US disclosed
EP-0818512-A1 Quinoline derivative and use of same MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-01-14 EP disclosed
US-4207320-A FUNGICIDES WARNER-LAMBERT COMPANY (US) 1980-06-10 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 (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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 CYP1A2 4855/4885LMNA 1102/4885KDM4E 4298/4885
US-20220153724-A1 Inhibitors Of Plasma Kallikrein KLKB1, SERPINB1, KLK5 CYP1A2 2968/4885LMNA 110/4885KDM4E 1741/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF CYP1A2 3344/4885LMNA 1333/4885KDM4E 3956/4885
US-11242333-B2 Inhibitors of plasma kallikrein KLKB1, SERPINB1, KLK5 CYP1A2 2968/4885LMNA 110/4885KDM4E 1741/4885
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 CYP1A2 2705/4885LMNA 2012/4885KDM4E 3184/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CYP1A2 4854/4885LMNA 2696/4885KDM4E 1450/4885
US-20070232648-A1 MODULATORS OF THE GLUCOCORTICOID RECEPTOR AND METHOD NR3C1, NR3C2, MC2R CYP1A2 1208/4885LMNA 4761/4885KDM4E 3282/4885
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 CYP1A2 3003/4885LMNA 4458/4885KDM4E 4200/4885
US-20210292285-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 CYP1A2 3003/4885LMNA 4458/4885KDM4E 4200/4885
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 CYP1A2 80/4885LMNA 3896/4885KDM4E 2386/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP1A2 540/4885LMNA 1308/4885KDM4E 2437/4885

“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.