SCHEMBL1205448

SCHEMBL1205448

COC(=O)c1cc(COCCCOC2CCCCO2)cc(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ CREBBP Q92793 2/20 0.38
▸ EP300 Q09472 1/20 0.38
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ P2RX3 P56373 3/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL1205074 0.95 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1CREBBPEP300
SCHEMBL1204141 0.90 MEN1 (0.45) KMT2AMEN1ALDH1A1CREBBPEP300
SCHEMBL1188534 0.86 KMT2A (0.53) KMT2AMEN1ALDH1A1CREBBPGAA
SCHEMBL1204024 0.85 CREBBP (0.43) KMT2AMEN1ALDH1A1CREBBPEP300
SCHEMBL18095278 0.81 KMT2A (0.57) KMT2AMEN1ALDH1A1CREBBPNPSR1
SCHEMBL18105999 0.78 LMNA (0.44) KMT2AMEN1ALDH1A1CREBBPEP300
SCHEMBL19889483 0.78 LMNA (0.44) KMT2AMEN1ALDH1A1CREBBPEP300
SCHEMBL19889482 0.77 KMT2A (0.48) KMT2AMEN1ALDH1A1CREBBPGAA
SCHEMBL18105997 0.77 KMT2A (0.48) KMT2AMEN1ALDH1A1CREBBPGAA
SCHEMBL4315290 0.76 CREBBP (0.58) KMT2AMEN1ALDH1A1CREBBPEP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079906-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI (FR) 2015-07-14 — — US disclosed
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2012-01-12 — — US disclosed
US-8076336-B2 Triazolopyridazines as PAR1 inhibitors, production thereof, and use as medicaments SANOFI-AVENTIS (FR) 2011-12-13 — — US disclosed
US-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2011-02-10 — — 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 (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-20110034451-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 KMT2A 2751/4885MEN1 1179/4885ALDH1A1 1015/4885
US-20120010203-A1 TRIAZOLOPYRIDAZINES AS PAR1 INHIBITORS, PRODUCTION THEREOF, AND USE AS MEDICAMENTS F2R, F2RL3, F2RL1 KMT2A 2751/4885MEN1 1179/4885ALDH1A1 1015/4885

“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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