SCHEMBL10154028

SCHEMBL10154028

Cc1cc(C)cc(-c2ccc(C)s2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
ERN1 O75460 1/20 0.42
PGR P06401 1/20 0.42
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP4B1 P13584 1/20 0.40
CYP2B6 P20813 1/20 0.40
CYP3A5 P20815 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
SCHEMBL16440498 0.95 HSD17B1 (0.50) HSD17B1HSD17B2ERN1PGRNPC1
SCHEMBL12887829 0.87 ERN1 (0.46) HSD17B1HSD17B2ERN1PGRNPC1
SCHEMBL12887840 0.83 CYP3A4 (0.46) HSD17B1HSD17B2ERN1PGRNPC1
SCHEMBL147294 0.80 HSD17B1 (0.49) HSD17B1HSD17B2PGRNPC1ALDH1A1
SCHEMBL9927249 0.79 APP (0.48) HSD17B1HSD17B2ERN1PGRNPC1
SCHEMBL18677167 0.79 PGR (0.45) HSD17B1HSD17B2ERN1PGRNPC1
SCHEMBL17149181 0.79 ERN1 (0.41) HSD17B1HSD17B2ERN1PGRNPC1
SCHEMBL14595486 0.79 HSD17B1 (0.63) HSD17B1HSD17B2MAPTCYP1A1CYP1A2
SCHEMBL24341916 0.79 CYP2A6 (0.50) HSD17B1HSD17B2ERN1PGRNPC1
SCHEMBL12404008 0.78 HSD17B1 (0.38) HSD17B1HSD17B2ERN1PGRNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423192-A1 METAL COMPLEX HAVING AROMATIC LIGAND THAT CONTAINS NITROGEN ATOM Sumitomo Chemical Company, Limited (JP) 2012-02-29 EP disclosed
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-8008507-B2 Fluorescent diketopyrrolopyrroles BASF SE Ludwigshafen (DE) 2011-08-30 US disclosed
US-8008507-B2 Fluorescent diketopyrrolopyrroles BASF SE Ludwigshafen (DE) 2011-08-30 US disclosed
US-7906039-B2 Fluorescent diketopyrrolopyrroles BASF SE (DE) 2011-03-15 US disclosed
US-7906039-B2 Fluorescent diketopyrrolopyrroles BASF SE (DE) 2011-03-15 US disclosed
US-20090173916-A1 Fluorescent diketopyrrolopyrroles CLAP CO., LTD. (KR) 2009-07-09 US disclosed
US-20090173916-A1 Fluorescent diketopyrrolopyrroles CLAP CO., LTD. (KR) 2009-07-09 US disclosed
US-7501076-B2 Fluorescent diketopyrrolopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-03-10 US disclosed
US-7501076-B2 Fluorescent diketopyrrolopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-03-10 US disclosed
US-20090057613-A1 FLUORESCENT QUINACRIDONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2009-03-05 US disclosed
US-20090057613-A1 FLUORESCENT QUINACRIDONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2009-03-05 US disclosed
EP-1817392-B1 FLUORESCENT DIKETOPYRROLOPYRROLES CIBA HOLDING INC (CH) 2009-01-07 EP disclosed
US-20080217581-A1 Inks, colorants, pigmented plastics for coatings, non-impact-printing material, color filters, cosmetics, polymeric ink particles, toners, fluorescent tracers; high in the efficiency of electrical energy utilisation and high in luminance CIBA CORPORATION 2008-09-11 US disclosed
US-20080217581-A1 Inks, colorants, pigmented plastics for coatings, non-impact-printing material, color filters, cosmetics, polymeric ink particles, toners, fluorescent tracers; high in the efficiency of electrical energy utilisation and high in luminance CIBA CORPORATION 2008-09-11 US disclosed
US-20070010672-A1 Fluorescent diketopyrrolopyrroles CLAP CO., LTD. (KR) 2007-01-11 US disclosed
US-20070010672-A1 Fluorescent diketopyrrolopyrroles CLAP CO., LTD. (KR) 2007-01-11 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 (5 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-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM MICA, CD4, CLTC HSD17B1 3779/4885HSD17B2 3637/4885ERN1 3401/4885
US-20090057613-A1 FLUORESCENT QUINACRIDONES TYR, IK, MC1R HSD17B1 3396/4885HSD17B2 4286/4885ERN1 4793/4885
US-20080217581-A1 Inks, colorants, pigmented plastics for coatings, non-impact-printing material, color filters, cosmetics, polymeric ink particles, toners, fluorescent tracers; high in the efficiency of electrical energy utilisation and high in luminance TYR, MC1R, IK HSD17B1 3659/4885HSD17B2 4007/4885ERN1 3197/4885
US-20070010672-A1 Fluorescent diketopyrrolopyrroles TYR, QDPR, MC1R HSD17B1 3419/4885HSD17B2 3929/4885ERN1 4267/4885
US-20090173916-A1 Fluorescent diketopyrrolopyrroles TYR, IK, MC1R HSD17B1 3536/4885HSD17B2 4156/4885ERN1 4025/4885

“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.