SCHEMBL16227752

SCHEMBL16227752

CCCCCCCCCCCCCCCc1cccc(C)n1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.78
SMN1; SMN2 Q16637 1/20 0.41
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
CYP19A1 P11511 3/20 0.40
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL16228294 1.00 KCNH2 (0.78) KCNH2SMN1; SMN2CCR1CCR8CYP19A1
SCHEMBL9971347 1.00 KCNH2 (0.78) KCNH2SMN1; SMN2CCR1CCR8CYP19A1
SCHEMBL22299298 1.00 KCNH2 (0.78) KCNH2SMN1; SMN2CCR1CCR8CYP19A1
SCHEMBL16228298 1.00 KCNH2 (0.78) KCNH2SMN1; SMN2CCR1CCR8CYP19A1
SCHEMBL26162438 1.00 KCNH2 (0.78) KCNH2SMN1; SMN2CCR1CCR8CYP19A1
SCHEMBL10373980 0.98 KCNH2 (0.74) KCNH2SMN1; SMN2CCR1CCR8
SCHEMBL681574 0.92 KCNH2 (0.64) KCNH2SMN1; SMN2CCR1CCR8
SCHEMBL24973117 0.88 KCNH2 (1.00) KCNH2CYP19A1GPR84
SCHEMBL10790586 0.88 KCNH2 (1.00) KCNH2CYP19A1GPR84
SCHEMBL6463178 0.88 KCNH2 (1.00) KCNH2CYP19A1GPR84

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-9592226-B2 Solenopsin and derivatives, therapeutic compositions; and methods related thereto EMORY UNIVERSITY (US) 2017-03-14 US disclosed
US-20150306082-A1 SOLENOPSIN AND DERIVATIVES, THERAPEUTIC COMPOSITIONS, AND METHODS RELATED THERETO NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-29 US disclosed
US-20140335079-A1 SOLENOPSIN AND DERIVATIVES, THERAPEUTIC COMPOSITIONS, AND METHODS RELATED THERETO EMORY UNIVERSITY (US) 2014-11-13 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 (2 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-20150306082-A1 SOLENOPSIN AND DERIVATIVES, THERAPEUTIC COMPOSITIONS, AND METHODS RELATED THERETO AGPS, CYP27A1, CYP11A1 KCNH2 4485/4885SMN1; SMN2 1838/4885CCR1 3872/4885
US-20140335079-A1 SOLENOPSIN AND DERIVATIVES, THERAPEUTIC COMPOSITIONS, AND METHODS RELATED THERETO AGPS, CYP27A1, CYP11A1 KCNH2 4485/4885SMN1; SMN2 1838/4885CCR1 3872/4885

“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.