SCHEMBL17853038

SCHEMBL17853038

Cc1cccc2c1Oc1c(Br)cccc1C2(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.42
ALDH1A1 P00352 1/20 0.39
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL30153513 0.91 DRD1 (0.49) DRD1ALDH1A1HTR1AHTR7HTR2B
SCHEMBL16146962 0.91 DRD1 (0.49) DRD1ALDH1A1HTR1AHTR7HTR2B
SCHEMBL11910663 0.89 DRD1 (0.50) DRD1ALDH1A1
SCHEMBL16442635 0.79 DRD1 (0.41) DRD1HTR1AHTR7HTR2BTMEM97
SCHEMBL24535399 0.79 CD44 (0.45) DRD1ALDH1A1
SCHEMBL20516731 0.79 DRD1 (0.42) DRD1ALDH1A1HTR1AHTR7HTR2B
SCHEMBL16773716 0.76 DRD1 (0.44) DRD1
SCHEMBL18488895 0.75 DRD1 (0.36) DRD1HTR1AHTR7HTR2BTMEM97
SCHEMBL18304634 0.75 DRD1 (0.33) DRD1
SCHEMBL20411999 0.73 DRD1 (0.37) DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 US disclosed
US-20160248023-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-25 US disclosed
US-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-23 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-20160248023-A1 MATERIALS FOR ELECTRONIC DEVICES EFNA1, LEF1, KCNC1 DRD1 2409/4885ALDH1A1 185/4885HTR1A 2840/4885
US-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 DRD1 1617/4885ALDH1A1 1092/4885HTR1A 3650/4885
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 DRD1 1617/4885ALDH1A1 1092/4885HTR1A 3650/4885

“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.