SCHEMBL10022401

SCHEMBL10022401

CCN1C(=O)c2ccc(C(C)C)cc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.54
▸ LMNA P02545 2/20 0.46
▸ CYP1B1 Q16678 4/20 0.43
▸ NR1H3 Q13133 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ TSHR P16473 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ RNASEH1 O60930 1/20 0.37
▸ HPGD P15428 1/20 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
SCHEMBL24671120 0.86 MEN1 (0.44) POLBLMNANR1H3ALDH1A1MEN1
SCHEMBL19762359 0.83 KDM4E (0.46) POLBLMNANR1H3ALDH1A1MEN1
SCHEMBL10022390 0.81 KDM4E (0.63) POLBLMNANR1H3ALDH1A1MEN1
SCHEMBL2835024 0.79 NR1H3 (0.58) POLBLMNANR1H3ALDH1A1MEN1
SCHEMBL22021634 0.78 LMNA (0.48) LMNANR1H3ALDH1A1MEN1KMT2A
SCHEMBL2741635 0.78 LMNA (0.48) LMNANR1H3ALDH1A1MEN1KMT2A
SCHEMBL31667571 0.77 MEN1 (0.48) POLBMEN1KMT2AHPGD
SCHEMBL25144724 0.76 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL12173747 0.76 POLB (0.48) POLBLMNACYP1B1ALDH1A1MEN1
SCHEMBL25144719 0.76 MAPT (0.46) POLBALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-03 — — US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 — — 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 (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-20230242534-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 AND USES THEREOF CDK2, CDK5, CDK9 POLB 883/4885LMNA 1562/4885CYP1B1 2784/4885
US-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA POLB 2716/4885LMNA 1872/4885CYP1B1 806/4885

“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.

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