SCHEMBL12339809

SCHEMBL12339809

CCCc1cc(Cc2cc(CCC)c(O)c(N)c2C)c(C)c(N)c1O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.38
IKBKB O14920 1/20 0.35
ALOX5 P09917 5/20 0.35
LDHA P00338 3/20 0.35
LDHB P07195 3/20 0.35
GABRA1 P14867 3/20 0.35
GABRB2 P47870 3/20 0.35
HMGCR P04035 1/20 0.34
ALOX15 P16050 1/20 0.33
MAOA P21397 1/20 0.33
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
PRKCI P41743 1/20 0.32

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
SCHEMBL13788027 0.95 DHFR (0.36) DHFRIKBKBALOX5LDHALDHB
SCHEMBL12339812 0.89 TYR (0.40) ALOX5GABRA1GABRB2ALOX15MAOA
SCHEMBL12339808 0.85 DHFR (0.38) DHFRGABRA1GABRB2ALOX15MAOA
SCHEMBL19972031 0.77 DHFR (0.37) DHFRALOX5LDHALDHBGABRA1
SCHEMBL12339816 0.76 GABRA1 (0.41) IKBKBGABRA1GABRB2ALOX15
SCHEMBL29662311 0.76 ALDH1A1 (0.45) ALOX15
SCHEMBL899192 0.76 ALDH1A1 (0.45) ALOX15
SCHEMBL3797886 0.73 NOS2 (0.38) IKBKBHMGCR
SCHEMBL11374001 0.73 HMGCR (0.42) ALOX5LDHALDHBHMGCRMAOA
SCHEMBL1987359 0.72 AMY1A (0.57) DHFRALOX5HMGCRMAOAPRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269358-B2 Bis(aminophenol) derivative, process for producing same, polyamide resin, positive photosensitive resin composition, protective film, interlayer dielectric film, semiconductor device, and display element SUMITOMO BAKELITE COMPANY LIMITED (JP) 2012-09-18 US disclosed
US-20100044888-A1 BIS(AMINOPHENOL) DERIVATIVE, PROCESS FOR PRODUCING SAME, POLYAMIDE RESIN, POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, PROTECTIVE FILM, INTERLAYER DIELECTRIC FILM, SEMICONDUCTOR DEVICE, AND DISPLAY ELEMENT SUMITOMO BAKELITE COMPANY LIMITED (JP) 2010-02-25 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-20100044888-A1 BIS(AMINOPHENOL) DERIVATIVE, PROCESS FOR PRODUCING SAME, POLYAMIDE RESIN, POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, PROTECTIVE FILM, INTERLAYER DIELECTRIC FILM, SEMICONDUCTOR DEVICE, AND DISPLAY ELEMENT RARA, AASDHPPT, GABRP DHFR 3714/4885IKBKB 3713/4885ALOX5 2436/4885

“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.