SCHEMBL1930612

SCHEMBL1930612

C=C(C)CSc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.56
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 4/20 0.44
MTNR1B P49286 4/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
FKBP1A P62942 1/20 0.40
POLB P06746 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
SCHEMBL11569786 0.81 FFAR1 (0.60) FFAR1ALDH1A1MAPK1HSD17B10HPGD
SCHEMBL94582 0.81 FFAR1 (0.60) FFAR1ALDH1A1MAPK1HSD17B10MTNR1A
SCHEMBL11070440 0.80 RAB9A (0.49) ALDH1A1MAPK1HSD17B10HPGDSMN1; SMN2
SCHEMBL21165775 0.78 FFAR1 (0.52) FFAR1ALDH1A1MAPK1HSD17B10HPGD
SCHEMBL3887827 0.78 MAPK1 (0.41) ALDH1A1MAPK1HSD17B10HPGDSMN1; SMN2
SCHEMBL8259090 0.78 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL11070443 0.78 NPC1 (0.45) ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL9732673 0.77 FFAR1 (0.56) FFAR1ALDH1A1MAPK1HSD17B10HPGD
SCHEMBL7407 0.77 FFAR1 (0.68) FFAR1ALDH1A1MAPK1HSD17B10MTNR1A
SCHEMBL13221038 0.77 FFAR1 (0.56) FFAR1ALDH1A1MAPK1HSD17B10MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130482-A1 Process for preparing armatic thiophenyl ketones PRETOR ROGER 2011-06-02 US claimed
EP-1799638-B1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA HOLDING INC (CH) 2008-07-30 EP claimed
EP-1799638-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-06-27 EP claimed
WO-2006034966-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-04-06 WO claimed
US-11192908-B2 Octamolybdate compounds exhibiting bright emission NANOCO 2D MATERIALS LIMITED (GB) 2021-12-07 US disclosed
CN-109574890-B N-sulfenyl-N-allyl substituted amide compound and preparation method thereof 温州大学 2021-08-20 CN disclosed
EP-3837267-A1 POLYOXOMETALATE COMPOUNDS EXHIBITING BRIGHT EMISSION AND METHODS OF PRODUCING THE SAME Nanoco 2D Materials Limited (GB) 2021-06-23 EP disclosed
CN-112533934-A Polyoxometallate compounds exhibiting bright emission and methods of making the same 纳米2D材料有限公司 2021-03-19 CN disclosed
WO-2020035670-A1 POLYOXOMETALATE COMPOUNDS EXHIBITING BRIGHT EMISSION AND METHODS OF PRODUCING THE SAME NANOCO 2D MATERIALS LIMITED (GB) 2020-02-20 WO disclosed
US-20200055884-A1 Octamolybdate Compounds Exhibiting Bright Emission NANOCO TECHNOLOGIES LIMITED (GB) 2020-02-20 US disclosed
US-20110130482-A1 Process for preparing armatic thiophenyl ketones PRETOR ROGER 2011-06-02 US disclosed
EP-1799638-B1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA HOLDING INC (CH) 2008-07-30 EP disclosed
EP-1799638-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-06-27 EP disclosed
WO-2006034966-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-04-06 WO disclosed
WO-1999065899-A1 NEW OXAZINYLAZOLE DERIVATIVES AS FUNGICIDES DONGBU HANNONG CHEMICAL CO., LTD. (KR) 1999-12-23 WO 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 (3 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-20110130482-A1 Process for preparing armatic thiophenyl ketones ACOT7, AGPAT2, COASY FFAR1 1578/4885ALDH1A1 1816/4885MAPK1 3795/4885
US-11192908-B2 Octamolybdate compounds exhibiting bright emission KCNN4, PUF60, OCIAD1 FFAR1 4851/4885ALDH1A1 2429/4885MAPK1 2829/4885
US-20200055884-A1 Octamolybdate Compounds Exhibiting Bright Emission KCNN4, PUF60, OCIAD1 FFAR1 4851/4885ALDH1A1 2429/4885MAPK1 2829/4885

“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.