SCHEMBL5898012

SCHEMBL5898012

Cc1cc(CO)cc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.55
CYP2A6 P11509 3/20 0.55
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
PTGER4 P35408 1/20 0.40
TSHR P16473 2/20 0.39
TRPM4 Q8TD43 1/20 0.38
SHBG P04278 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKR1B1 P15121 1/20 0.37
HTR2A P28223 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
SCHEMBL7260880 0.85 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL6367430 0.82 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL5898006 0.80 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL15345412 0.80 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL8851565 0.80 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL23465385 0.80 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL6739153 0.80 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL3044042 0.79 TSHR (0.42) CYP1A2ALDH1A1HSD17B10HPGDTSHR
SCHEMBL12189504 0.78 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL7653944 0.78 CYP1A2 (0.59) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620823-B2 Antiinflammatory agents; rheumatic disorders BRISTOL-MYERS SQUIBB PHARME COMPANY 2003-09-16 US claimed
US-20230265105-A1 MACROCYCLIC 7-PYRAZOL-5-YL-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-08-24 US disclosed
US-20230250109-A1 MACROCYCLIC ETHER CONTAINING INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US disclosed
US-20230234969-A1 N-LINKED MACROCYCLIC 7-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBIORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-07-27 US disclosed
US-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 JANSSEN PHARMACEUTICA NV (BE) 2023-04-27 US disclosed
US-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 US disclosed
US-6962938-B2 Spiro-cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-11-08 US disclosed
US-6884806-B2 Bicyclic lactam derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-26 US disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed
WO-2002004416-A2 LACTAM METALLOPROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-17 WO disclosed
EP-1165546-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-ALPHA, AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2001070673-A2 CYCLIC β-AMINO ACID DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEASES AND TNF-$g(a) BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-27 WO disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed
WO-2000059285-A2 NOVEL LACTAM INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
US-6057336-A ANTIINFLAMMATORY AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-02 US disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 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 (4 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-20230265105-A1 MACROCYCLIC 7-PYRAZOL-5-YL-INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 MCL1, BAK1, API5 CYP1A2 3775/4885CYP2A6 4483/4885ALDH1A1 1173/4885
US-20230250109-A1 MACROCYCLIC ETHER CONTAINING INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 MCL1, BAK1, BCL2L1 CYP1A2 3285/4885CYP2A6 3954/4885ALDH1A1 952/4885
US-20230130109-A1 MACROCYCLIC INDOLE DERIVATIVES AS INHIBITORS OF MCL-1 MCL1, BCL2L1, BAK1 CYP1A2 3669/4885CYP2A6 4309/4885ALDH1A1 1067/4885
US-20230234969-A1 N-LINKED MACROCYCLIC 7-(PYRAZOL-5-YL)-INDOLE DERIVATIVES AS INHIBIORS OF MCL-1 MCL1, BAK1, BCL2L1 CYP1A2 3671/4885CYP2A6 4431/4885ALDH1A1 772/4885

“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.