SCHEMBL6293835

SCHEMBL6293835

Oc1cccc(Oc2cccc(F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.57
▸ ESR1 P03372 1/20 0.57
▸ HSD17B1 P14061 1/20 0.46
▸ HSD17B2 P37059 1/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CA5A P35218 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ CA5B Q9Y2D0 1/20 0.44
▸ RAB9A P51151 1/20 0.42
▸ F10 P00742 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41

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
SCHEMBL813557 0.87 CYP3A4 (0.58) ESR2ESR1HSD17B1HSD17B2CYP3A4
SCHEMBL30358272 0.87 CYP3A4 (0.58) ESR2ESR1HSD17B1HSD17B2CYP3A4
SCHEMBL7938427 0.87 MAPT (0.46) ALDH1A1SLC6A2SLC6A4SLC6A3MMP2
SCHEMBL4046058 0.86 LTA4H (0.59) ESR2ESR1PTGS1PTGS2ALDH1A1
SCHEMBL6805040 0.86 LTA4H (0.48) ESR2ESR1HSD17B1HSD17B2CYP3A4
SCHEMBL6289878 0.84 ALDH1A1 (0.50) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL6293224 0.84 ALDH1A1 (0.50) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL6290410 0.84 ALDH1A1 (0.50) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL6293197 0.84 ALDH1A1 (0.50) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL6289927 0.84 ALDH1A1 (0.50) ALDH1A1LMNASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1225456-C Novel aromatic diamine and its polyimide MITSUI CHEMICALS INC (JP) 2005-11-02 — — CN disclosed
US-6933411-B2 Aromatic diamine and polyimide thereof MITSUI CHEMICALS, INC. (JP) 2005-08-23 — — US disclosed
US-6737503-B2 LOW TEMPERATURE ADHESIVE BONDING MITSUI CHEMICALS, INC. (JP) 2004-05-18 — — US disclosed
US-20040082754-A1 Novel aromatic diamine and polyimide thereof MITSUI CHEMICALS, INC. (JP) 2004-04-29 — — US disclosed
US-20030092870-A1 Novel aromatic diamine and polyimide thereof MITSUI CHEMICALS, INC. (JP) 2003-05-15 — — US disclosed
CN-1403438-A Novel aromatic diamine and its polyimide MITSUI CHEMICALS INC (JP) 2003-03-19 — — CN disclosed
EP-1288191-A2 Novel aromatic diamine and polyimide thereof Mitsui Chemicals, Inc. (JP) 2003-03-05 — — 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 (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-20030092870-A1 Novel aromatic diamine and polyimide thereof DDT, AOC1, H1-4 ESR2 4308/4885ESR1 3429/4885HSD17B1 4009/4885

“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.

Send feedback