SCHEMBL15086798

SCHEMBL15086798

O=C(c1ccc2c(c1)OCO2)N1CCC(c2ccc(Oc3ccccc3)cc2)=N1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ MCL1 Q07820 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ POLB P06746 1/20 0.49
▸ PGR P06401 6/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL15086761 0.85 PGR (0.47) ALDH1A1PGRNPC1TSHRRAB9A
SCHEMBL14484468 0.84 ABL1 (0.48) ALDH1A1POLBPGRNPC1RAB9A
SCHEMBL15086775 0.83 HPGD (0.52) ALDH1A1PGRNPC1TSHRRAB9A
SCHEMBL14484343 0.81 ALDH1A1 (0.51) ALDH1A1POLBPGRNPC1RAB9A
SCHEMBL15086801 0.80 PTGS2 (0.53) ALDH1A1POLBPGRHSD17B10HPGD
SCHEMBL14553658 0.80 PGR (0.52) ALDH1A1POLBPGRRAB9AHPGD
SCHEMBL15086796 0.80 PGR (0.45) ALDH1A1PGRNPC1TSHRRAB9A
SCHEMBL15086816 0.79 HPGD (0.44) ALDH1A1PGRNPC1RAB9AHSD17B10
SCHEMBL15086704 0.79 MAOB (0.61) ALDH1A1NPC1TSHRRAB9AHPGD
SCHEMBL15086733 0.79 GFER (0.49) ALDH1A1POLBNPC1RAB9AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170368030-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-12-28 — — US disclosed
US-9775830-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-10-03 — — US disclosed
US-9775830-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-10-03 — — US disclosed
US-20170071910-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-03-16 — — US disclosed
US-20170071910-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2017-03-16 — — US disclosed
US-9517227-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2016-12-13 — — US disclosed
US-9517227-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2016-12-13 — — US disclosed
US-20140296238-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-10-02 — — US disclosed
US-20140296238-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-10-02 — — US disclosed
US-8791114-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-07-29 — — US disclosed
US-8791114-B2 Dihydropyrazoles MERCK PATENT GMBH (DE) 2014-07-29 — — US disclosed
US-20130172351-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2013-07-04 — — US disclosed
US-20130172351-A1 Dihydropyrazoles MERCK PATENT GMBH (DE) 2013-07-04 — — 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 (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-20170368030-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR CASP3 1508/4885SENP8 4581/4885SENP7 4409/4885
US-20130172351-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR CASP3 1508/4885SENP8 4581/4885SENP7 4409/4885
US-20140296238-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR CASP3 1508/4885SENP8 4581/4885SENP7 4409/4885
US-20170071910-A1 Dihydropyrazoles FSHR, GNRHR, LHCGR CASP3 1508/4885SENP8 4581/4885SENP7 4409/4885

“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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