SCHEMBL24732254

SCHEMBL24732254

C=C(C=C(C)C)Nc1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SIGMAR1 Q99720 2/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ EPHX1 P07099 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ ITGB3 P05106 1/20 0.45
▸ ITGB1 P05556 1/20 0.45
▸ ITGAV P06756 1/20 0.45
▸ ITGA5 P08648 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC7 Q8WUI4 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC10 Q969S8 1/20 0.44

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
SCHEMBL21082339 0.81 HPGD (0.47) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL20035718 0.80 NPC1 (0.55) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL11125037 0.79 HPGD (0.63) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL5766105 0.79 HPGD (0.63) HPGDALDH1A1NPC1RAB9AALOX12
SCHEMBL27456928 0.77 ALDH1A1 (0.47) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL13433106 0.77 NPC1 (0.61) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL21290371 0.77 NPC1 (0.52) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL25865367 0.76 HPGD (0.59) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL18599981 0.76 HPGD (0.53) HPGDALDH1A1NPC1RAB9ASIGMAR1
SCHEMBL959541 0.74 NPC1 (0.77) HPGDALDH1A1NPC1RAB9ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220302395-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2022-09-22 — — 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-20220302395-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, LEF1 HPGD 1833/4885ALDH1A1 460/4885NPC1 1236/4885

“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