SCHEMBL2401191

SCHEMBL2401191

CCCCCCCCc1cc(Br)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.40
PTGS2 P35354 4/20 0.38
CYP3A4 P08684 2/20 0.35
ESR1 P03372 2/20 0.34
ADRA2A P08913 2/20 0.34
ADORA3 P0DMS8 2/20 0.34
TACR2 P21452 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SHBG P04278 1/20 0.34
TP53 P04637 1/20 0.34
HSPD1 P10809 1/20 0.34
ADRB3 P13945 1/20 0.34
HTR2C P28335 1/20 0.34
HSPE1 P61604 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL3871459 1.00 GPR35 (0.40) GPR35PTGS2CYP3A4ESR1ADRA2A
SCHEMBL15791266 1.00 GPR35 (0.40) GPR35PTGS2CYP3A4ESR1ADRA2A
SCHEMBL3870570 1.00 GPR35 (0.40) GPR35PTGS2CYP3A4ESR1ADRA2A
SCHEMBL3872581 1.00 GPR35 (0.40) GPR35PTGS2CYP3A4ESR1ADRA2A
SCHEMBL3871715 0.92 ALDH1A1 (0.35) GPR35SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL2600221 0.83
SCHEMBL9769129 0.80 PTGS2 (0.38) GPR35PTGS2CYP3A4ALDH1A1
SCHEMBL28814537 0.80 LTB4R (0.48) PTGS2CYP3A4ESR1ADRA2AADORA3
SCHEMBL19304386 0.80 PTGS2 (0.38) GPR35PTGS2CYP3A4ALDH1A1
SCHEMBL18433458 0.80 PTGS2 (0.38) GPR35PTGS2CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9716237-B2 Heteroacenes for organic electronics BASF SE (DE) 2017-07-25 US disclosed
US-20160365519-A1 HETEROACENES FOR ORGANIC ELECTRONICS BASF SE (DE) 2016-12-15 US disclosed
WO-2015128779-A1 HETEROACENES FOR ORGANIC ELECTRONICS BASF SE (DE) 2015-09-03 WO disclosed
US-8901540-B2 Fused ring compounds useful in organic thin-film transistors IDEMITSU KOSAN CO., LTD. (JP) 2014-12-02 US disclosed
US-8901540-B2 Fused ring compounds useful in organic thin-film transistors IDEMITSU KOSAN CO., LTD. (JP) 2014-12-02 US disclosed
US-8872163-B2 2014-10-28 US disclosed
US-8872163-B2 2014-10-28 US disclosed
US-8785915-B2 Compound for organic thin film transistor and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-22 US disclosed
US-8785915-B2 Compound for organic thin film transistor and organic thin film transistor using the same IDEMITSU KOSAN CO., LTD. (JP) 2014-07-22 US disclosed
US-20110220884-A1 COMPOUND FOR ORGANIC THIN-FILM TRANSISTOR AND ORGANIC THIN-FILM TRANSISTOR USING SAME USHIO CHEMIX CORPORATION (JP) 2011-09-15 US disclosed
US-20110220884-A1 COMPOUND FOR ORGANIC THIN-FILM TRANSISTOR AND ORGANIC THIN-FILM TRANSISTOR USING SAME USHIO CHEMIX CORPORATION (JP) 2011-09-15 US disclosed
US-20110210319-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME COMPOUND FOR ORGANIC THIN FLIM TRANSISTOR AND ORGANIC THAN FLIM TRANSITOR USING THE SAME (JP) 2011-09-01 US disclosed
US-20110210319-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME COMPOUND FOR ORGANIC THIN FLIM TRANSISTOR AND ORGANIC THAN FLIM TRANSITOR USING THE SAME (JP) 2011-09-01 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 (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-20160365519-A1 HETEROACENES FOR ORGANIC ELECTRONICS YBX1, PIEZO1, HAX1 GPR35 4024/4885PTGS2 1953/4885CYP3A4 222/4885
US-20110220884-A1 COMPOUND FOR ORGANIC THIN-FILM TRANSISTOR AND ORGANIC THIN-FILM TRANSISTOR USING SAME TTI1, TCF4, RCOR1 GPR35 3099/4885PTGS2 3343/4885CYP3A4 46/4885
US-20110210319-A1 COMPOUND FOR ORGANIC THIN FILM TRANSISTOR AND ORGANIC THIN FILM TRANSISTOR USING THE SAME OR10J3, TCF4, CTCF GPR35 2703/4885PTGS2 3762/4885CYP3A4 165/4885

“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.