SCHEMBL3824435

SCHEMBL3824435

C=CCOc1ccc2cccc(OCC=C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.51
HPGD P15428 3/20 0.47
CA12 O43570 6/20 0.47
CA1 P00915 6/20 0.47
CA9 Q16790 6/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2A6 P11509 1/20 0.46
SETDB1 Q15047 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1B P49286 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL26361533 0.89 HPGD (0.44) MTNR1AHPGDCA12CA1CA9
SCHEMBL3822410 0.87 CYP3A4 (0.49) MTNR1AHPGDCA12CA1CA9
SCHEMBL6583661 0.83 MTNR1A (0.50) MTNR1AHPGDCA12CA1CA9
SCHEMBL28571595 0.83 MTNR1A (0.50) MTNR1AHPGDCA12CA1CA9
SCHEMBL20537232 0.83 MTNR1A (0.53) MTNR1AHPGDCA12CA1CA9
Water SCHEMBL27876309 0.81 HPGD (0.45) MTNR1AHPGDCA12CA1CA9
SCHEMBL4371294 0.81 HPGD (0.56) HPGDCA12CA1CA9CYP3A4
Ethylene SCHEMBL3362752 0.80 HPGD (0.55) HPGDCA12CA1CA9CYP3A4
Water SCHEMBL21694712 0.80 HPGD (0.55) HPGDCA12CA1CA9CYP3A4
SCHEMBL15869201 0.79 CA12 (0.46) MTNR1AHPGDCA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020145111-A1 THIOL COMPOUND, METHOD FOR SYNTHESIZING SAME, AND USES FOR SAID THIOL COMPOUND 四国化成工業株式会社 2020-07-16 WO disclosed
EP-1298115-B1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS NAT INST OF ADVANCED IND SCIEN (JP) 2009-08-26 EP disclosed
US-6656328-B2 Subjecting a polyhydric alcohol compound having protected hydroxy group(s) to microwave irradiation in presence of basic compound or acid to deprotect the protecting groups of hydroxy group of polyhydric alcohol compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2003-12-02 US disclosed
EP-1298115-A1 PROCESS FOR THE PREPARATION OF POLYHYDRIC ALCOHOLS National Institute of Advanced Industrial Science and Technology (JP) 2003-04-02 EP disclosed
US-20020157939-A1 Process for preparation of polyhydric alcohols NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2002-10-31 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 (1 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-20020157939-A1 Process for preparation of polyhydric alcohols ADH1C, ADH1A, ADH5 MTNR1A 3525/4885HPGD 160/4885CA12 512/4885

“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.