SCHEMBL24201870

SCHEMBL24201870

CCc1c(C)[nH]c2ccc(C)cc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
MAPT P10636 7/20 0.63
ALDH1A1 P00352 5/20 0.63
KDM4E B2RXH2 4/20 0.63
GAA P10253 3/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HTT P42858 4/20 0.52
ALOX12 P18054 2/20 0.52
POLB P06746 2/20 0.52
RXFP1 Q9HBX9 2/20 0.50
MCL1 Q07820 1/20 0.50
TSHR P16473 1/20 0.49
HTR6 P50406 3/20 0.46
HTR1D P28221 2/20 0.46
HTR7 P34969 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL20094577 0.85 HSD17B10 (0.62) HSD17B10SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL12090866 0.83 HSD17B10 (0.54) HSD17B10SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL3116596 0.81 HSD17B10 (0.53) HSD17B10SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL24358704 0.81 HTR6 (0.65) HSD17B10SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL19192790 0.81 SMN1; SMN2 (0.53) HSD17B10SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL26227993 0.80 HSD17B10 (0.56) HSD17B10SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL7886752 0.80 HTR1D (0.71) HSD17B10SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL10067045 0.80 HSD17B10 (0.55) HSD17B10SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL18509436 0.79 POLB (0.66) HSD17B10SMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL146647 0.79 HSD17B10 (0.50) HSD17B10SMN1; SMN2MAPTALDH1A1KDM4E

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-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-01-20 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-20220017513-A1 AROMATIC RING DERIVATIVE AS IMMUNOREGULATION AND PREPARATION METHOD AND APPLICATION OF AROMATIC RING DERIVATIVE S1PR1, S1PR2, S1PR3 HSD17B10 3238/4885SMN1; SMN2 4722/4885MAPT 4417/4885

“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.