SCHEMBL88995

SCHEMBL88995

CCc1cc(OCCOC)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ABCB11 O95342 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
SCN1A P35498 1/20 0.45
OPRK1 P41145 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GHSR Q92847 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
LTB4R Q15722 6/20 0.44
HTT P42858 2/20 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
SCHEMBL88950 0.93 KDM4E (0.46) ALDH1A1KDM4EABCB11LMNACYP1A2
SCHEMBL89106 0.88 HTR3E (0.48) ALDH1A1KDM4EABCB11LMNACYP1A2
SCHEMBL15087665 0.87 TSHR (0.44) TSHRALDH1A1KDM4EABCB11LMNA
SCHEMBL19422787 0.82 NPC1 (0.49) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL28416153 0.82 NCF1 (0.50) TSHRALDH1A1LTB4RHTTNCF1
SCHEMBL8264291 0.81 LTB4R (0.49) ALDH1A1KDM4EABCB11LMNACYP1A2
Hydrochloric Acid SCHEMBL28059935 0.81 NCF1 (0.49) TSHRALDH1A1KDM4ELTB4RHTT
SCHEMBL13490840 0.79 LTB4R (0.44) ALDH1A1KDM4EABCB11LMNACYP1A2
SCHEMBL1911257 0.79 NCF1 (0.43) ALDH1A1KDM4EABCB11LMNACYP1A2
SCHEMBL8564988 0.79 LTB4R (0.45) TSHRALDH1A1LMNASMN1; SMN2LTB4R

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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 TSHR 1095/4885ALDH1A1 38/4885KDM4E 1650/4885

“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.