SCHEMBL2076547

SCHEMBL2076547

CCCCCCC[CH]C(CCC)CCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
DNM1 Q05193 5/20 0.40
THRB P10828 1/20 0.40
FAAH O00519 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.36
EP300 Q09472 1/20 0.35

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
SCHEMBL5817634 0.95 TSHR (0.41) TSHRDNM1THRBFAAHTRPV1
SCHEMBL28179466 0.93 TSHR (0.43) TSHRDNM1THRBFAAHTRPV1
SCHEMBL11246678 0.91 TSHR (0.41) TSHRDNM1THRBFAAHTRPV1
SCHEMBL28100004 0.91 LMNA (0.38) TSHRDNM1THRBALDH1A1LMNA
SCHEMBL17336085 0.91 TSHR (0.41) TSHRDNM1THRBFAAHTRPV1
SCHEMBL7066232 0.91 TSHR (0.41) TSHRDNM1THRBFAAHTRPV1
SCHEMBL17336097 0.91 TSHR (0.41) TSHRDNM1THRBFAAHTRPV1
SCHEMBL10490298 0.91 TSHR (0.41) TSHRDNM1THRBFAAHTRPV1
SCHEMBL15902252 0.90 TSHR (0.44) TSHRDNM1THRBFAAHTRPV1
SCHEMBL21196910 0.90 TSHR (0.44) TSHRDNM1THRBFAAHTRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897589-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-03-01 US disclosed
US-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 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-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments PIR, SYMPK, P2RX5 TSHR 3179/4885DNM1 1382/4885THRB 4048/4885

“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.