SCHEMBL315823

SCHEMBL315823

[CH2]C(C)Sc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MMP2 P08253 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
TSHR P16473 1/20 0.46
HPGD P15428 3/20 0.45
MMP1 P03956 1/20 0.42
ADRB2 P07550 1/20 0.41
LMNA P02545 2/20 0.40
CYP2A6 P11509 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL216701 0.82 HSD17B10 (0.50) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL8744335 0.80 GAA (0.39) HSD17B10CYP2C9CYP2C19TSHRHPGD
SCHEMBL7123357 0.78 HSD17B10 (0.52) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL15241839 0.78 CYP2C9 (0.47) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL11429798 0.78 TSHR (0.45) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL1453376 0.77 MAOA (0.41) HSD17B10HPGDLMNAMAPTSMN1; SMN2
SCHEMBL7245397 0.75 ADRB2 (0.46) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL21103698 0.75 HSD17B10 (0.48) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL10144008 0.75 TSHR (0.50) HSD17B10CYP2C9CYP2C19MMP2MMP8
SCHEMBL3896041 0.74 HSD17B10 (0.52) HSD17B10CYP2C9CYP2C19MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2108012-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2009-10-14 EP disclosed
WO-2008099076-A2 SUBSTITUTED N-(4-CYANO-1H-PYRAZOL-3-YL)METHYLAMINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2008-08-21 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US disclosed
US-4698338-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1987-10-06 US disclosed
EP-0233780-A2 O-substituted oximino cephalosporins ELI LILLY AND COMPANY (US) 1987-08-26 EP 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 HSD17B10 293/4885CYP2C9 617/4885CYP2C19 703/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 HSD17B10 2776/4885CYP2C9 1314/4885CYP2C19 307/4885

“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.