SCHEMBL6490609

SCHEMBL6490609

Oc1cc(C(F)(F)F)c2c(c1)sc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
GPR3 P46089 1/20 0.42
MAPT P10636 7/20 0.40
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 2/20 0.39
LMNA P02545 3/20 0.38
HCRTR1 O43613 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC9A1 P19634 2/20 0.38
IDO1 P14902 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36

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
SCHEMBL3874969 0.79 MAOA (0.75) MAOAMAOBGPR3MAPTALDH1A1
SCHEMBL6489524 0.77 GPR3 (0.50) GPR3MAPTALDH1A1MEN1KMT2A
SCHEMBL3874563 0.76 MAOA (0.57) MAOAMAOBGPR3MAPTALDH1A1
Hydrogen Sulfide SCHEMBL29100291 0.75 GPR3 (0.48) MAOAMAOBGPR3MAPTALDH1A1
SCHEMBL28076011 0.72 GPR3 (0.45) MAOAMAOBGPR3MAPTALDH1A1
SCHEMBL8176419 0.71 HSD17B1 (0.50) MAOAMAOBMAPTALDH1A1MEN1
SCHEMBL28075901 0.71 GPR3 (0.43) MAOAMAOBGPR3MAPTALDH1A1
SCHEMBL24627993 0.70 MAOA (0.54) MAOAMAOBGPR3MAPTALDH1A1
SCHEMBL11030869 0.70 MAOA (1.00) MAOAMAOBMAPTALDH1A1MEN1
SCHEMBL28269977 0.70 GPR3 (0.42) MAOAMAOBGPR3MAPTALDH1A1

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
US-6881850-B2 Heterocyclically annellated indenochromene derivatives RODENSTOCK GMBH (DE) 2005-04-19 US disclosed
US-6849202-B2 COMPOUND HAVING PHENYLACETYLENE STRUCTURE, LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICALLY ANISOTROPIC PRODUCT, OPTICAL OR LIQUID CRYSTAL ELEMENT, DIBENZOTHIOPHENE COMPOUND, INTERMEDIATE, AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-02-01 US disclosed
US-20040092743-A1 Heterocyclically annellated indenochromene derivatives OPTISCHE WERKE G. RODENSTOCK 2004-05-13 US disclosed
US-6660727-B1 Photochromic heterocyclically anellated indenochromene compounds RODENSTOCK GMBH (DE) 2003-12-09 US disclosed
US-20020110650-A1 Compound having phenylacetylene structure, liquid crystal composition, polymer, optically anisotropic product, optical or liquid crystal element, dibenzothiophene compound, intermediate, and process for producing the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2002-08-15 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 (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-20040092743-A1 Heterocyclically annellated indenochromene derivatives ALDH1A2, INF2, CYP1B1 MAOA 1203/4885MAOB 1241/4885GPR3 1289/4885
US-20020110650-A1 Compound having phenylacetylene structure, liquid crystal composition, polymer, optically anisotropic product, optical or liquid crystal element, dibenzothiophene compound, intermediate, and process for producing the same CCNT1, NAT1, PEAK1 MAOA 1823/4885MAOB 2546/4885GPR3 2764/4885

“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.