SCHEMBL25790214

SCHEMBL25790214

COc1ccc(C(C)Cc2cc(C(C)C)ccc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
NPBWR1 P48145 4/20 0.40
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCB11 O95342 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRS3 P32247 1/20 0.38
MCHR1 Q99705 3/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL21286388 0.77 CYP1A2 (0.58) MEN1KMT2ARAB9ANPBWR1ALDH1A1
SCHEMBL23903284 0.77 ALOX12 (0.37) ALDH1A1GAASLC6A4
SCHEMBL84040 0.74 RAB9A (0.62) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL19121042 0.74 TAAR1 (0.49) MEN1KMT2ARAB9AALDH1A1CYP1A2
SCHEMBL12016027 0.74 IDO1 (0.40) NPBWR1SMN1; SMN2MCHR1L3MBTL1CASR
SCHEMBL21139130 0.74 GAA (0.53) BRS3GAACASRSLC6A4
Ammonia Solution, Strong SCHEMBL28016105 0.72 RAB9A (0.60) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL19440432 0.71 ADRB2 (0.38) MEN1KMT2ARAB9ASMN1; SMN2CYP1A2
SCHEMBL10053122 0.71 L3MBTL1 (0.39) ALDH1A1SMN1; SMN2CYP2D6L3MBTL1MAPT
SCHEMBL10338355 0.71 CYP1A2 (0.63) MEN1KMT2AALDH1A1CYP1A2CYP2D6

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-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT TRINEURO (KR) 2023-07-06 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-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT HTR5A, HTR2C, TPH1 MEN1 2231/4885KMT2A 2075/4885RAB9A 338/4885

“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.