SCHEMBL316596

SCHEMBL316596

COc1cc[c]cc1OC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.34
KMT2A Q03164 1/20 0.34
PDE4B Q07343 4/20 0.33
FPR2 P25090 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDE4A P27815 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
GAA P10253 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL542567 0.92 NPSR1 (0.35) CA12CA1CA2CA4CA7
SCHEMBL676940 0.90 ALDH1A1 (0.35) IRAK4NPSR1ALDH1A1MAPTACHE
SCHEMBL2889290 0.86 CA12 (0.34) CA12CA1CA2CA4CA7
SCHEMBL8674 0.83 CA2 (0.46) CA12CA1CA2CA4CA7
SCHEMBL1067896 0.82 PDE4B (0.36) CA12CA1CA2CA4CA7
SCHEMBL2138768 0.81 CA2 (0.43) CA12CA1CA2CA4CA7
SCHEMBL27494520 0.81 CA2 (0.43) CA12CA1CA2CA4CA7
SCHEMBL28251730 0.81 CA2 (0.43) CA12CA1CA2CA4CA7
SCHEMBL25438757 0.79 IRAK4 (0.32) IRAK4ALDH1A1ACHE
SCHEMBL2457302 0.79 NPSR1 (0.42) KMT2ANPSR1ALDH1A1MAPTSMN1; SMN2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN claimed
JP-2001506611-A 2001-05-22 JP claimed
EP-0942902-A2 NOVEL IMMUNOTHERAPEUTIC IMIDES/AMIDES CELGENE CORPORATION (US) 1999-09-22 EP claimed
WO-1998024763-A2 IMMUNOTHERAPEUTIC IMIDES/AMIDES AS PDE IV AND TNF INHIBITORS CELGENE CORPORATION (US) 1998-06-11 WO claimed
US-5703098-A INHIBITORS OF CYTOKINES INCLUDING TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-30 US claimed
US-11970486-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-04-30 US disclosed
US-20240124435-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-18 US disclosed
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
EP-3700934-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2020-09-02 EP disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
EP-3529245-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2019-08-28 EP disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed
WO-2012114252-A1 NOVEL INDOLE AND PYRROLOPYRIDINE AMIDES ACTELION PHARMACEUTICALS LTD (CH) 2012-08-30 WO disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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 (6 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-20240124435-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 CA12 1230/4885CA1 354/4885CA2 880/4885
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 CA12 1230/4885CA1 354/4885CA2 880/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 CA12 4124/4885CA1 3885/4885CA2 4135/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 CA12 3814/4885CA1 2197/4885CA2 935/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 CA12 1230/4885CA1 354/4885CA2 880/4885
US-11970486-B2 Compounds and uses thereof NLN, ACHE, CLN6 CA12 1230/4885CA1 354/4885CA2 880/4885

“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.