SCHEMBL9976865

SCHEMBL9976865

CCC(=O)OC1CCC(OC(=O)CC)c2cc(-c3cc4sc(-c5ccc6c(c5)C(OC(=O)C(C)C)CCC6OC(=O)C(C)F)cc4s3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 2/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9976834 0.86 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL9976872 0.83 CYP11B1 (0.40) CYP11B1CYP11B2
SCHEMBL9976873 0.76 CYP11B1 (0.38) CYP11B1CYP11B2
SCHEMBL9976839 0.74 ACACA (0.32)
SCHEMBL9976866 0.73 L3MBTL1 (0.35) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL9976858 0.72 CYP11B1 (0.36) CYP11B1CYP11B2MAPTTP53ALOX15
SCHEMBL9976819 0.71 CYP11B1 (0.40) CYP11B1CYP11B2MAPTTP53THRB
SCHEMBL9976840 0.71 GPR119 (0.31)
SCHEMBL9976824 0.70 RXRA (0.34) ALOX15LMNAGAA
SCHEMBL9976863 0.70 CYP11B1 (0.30) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680296-B2 Leaving substituent-containing compound, products produced using the same, and methods for producing the products RICOH COMPANY, LTD. (JP) 2014-03-25 US disclosed
US-8680296-B2 Leaving substituent-containing compound, products produced using the same, and methods for producing the products RICOH COMPANY, LTD. (JP) 2014-03-25 US disclosed
US-20120153271-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND RICOH COMPANY, LTD. (JP) 2012-06-21 US disclosed
US-20120153271-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND RICOH COMPANY, LTD. (JP) 2012-06-21 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-20120153271-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND F12, C1S, PYM1 CYP11B1 1585/4885CYP11B2 1300/4885NPC1 4277/4885

“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.