SCHEMBL8000342

SCHEMBL8000342

CCC(C)(CC)CP(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KCNN4 O15554 1/20 0.34
TP53 P04637 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
SLC6A2 P23975 1/20 0.31
RIPK1 Q13546 3/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL15484320 0.96 CYP3A4 (0.35) CYP3A4TDP1KCNN4TP53TAAR1
SCHEMBL662184 0.89 CYP3A4 (0.39) CYP3A4TDP1KCNN4TP53TAAR1
SCHEMBL18214942 0.86 CYP3A4 (0.38) CYP3A4TDP1KCNN4TAAR1SLC6A2
SCHEMBL11681580 0.86 CYP3A4 (0.38) CYP3A4TDP1KCNN4TAAR1SLC6A2
SCHEMBL16859262 0.86 CYP3A4 (0.38) CYP3A4TDP1KCNN4TAAR1SLC6A2
Hydrochloric Acid SCHEMBL1450177 0.86 TDP1 (0.38) CYP3A4TDP1KCNN4TAAR1SLC6A2
SCHEMBL1559777 0.85 TSHR (0.31) ESR1ESR2
SCHEMBL27851234 0.83 KCNN4 (0.32) CYP3A4TDP1KCNN4TP53
SCHEMBL15485017 0.83 KCNN4 (0.32) CYP3A4TDP1KCNN4TP53
SCHEMBL28791530 0.83 CYP3A4 (0.35) CYP3A4TDP1KCNN4TP53TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912731-B2 Use of silylated formiates as hydrosilane equivalents COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2024-02-27 US disclosed
US-9650310-B2 Method for the methylation of nitrogen-containing organic compounds RHEINISCHE-WESTFÄLISCHE TECHNISCHE HOCHSCHULE (RWTH) AACHEN (DE) 2017-05-16 US disclosed
US-20160168043-A1 METHOD FOR THE METHYLATION OF NITROGEN-CONTAINING ORGANIC COMPOUNDS RHEINISCHE-WESTFÄLISCHE TECHNISCHE HOCHSCHULE (RWTH) AACHEN (DE) 2016-06-16 US disclosed
US-9216933-B2 Reduction method for the reduction of carbon dioxide and carbon dioxide derivatives RHEINISCH-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2015-12-22 US disclosed
US-20150087867-A1 REDUCTION METHOD FOR THE REDUCTION OF CARBON DIOXIDE AND CARBON DIOXIDE DERIVATIVES RHEINISCH-WESTFALISCHE TECHNISCHE HOCHSCHULE AACHEN (DE) 2015-03-26 US disclosed
WO-2000009584-A1 CATALYST COMPOSITION AND PROCESS FOR THE PREPARATION OF COPOLYMERS OF CARBON MONOXIDE AND AN OLEFINICALLY UNSATURATED COMPOUND SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2000-02-24 WO 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 (3 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-20150087867-A1 REDUCTION METHOD FOR THE REDUCTION OF CARBON DIOXIDE AND CARBON DIOXIDE DERIVATIVES MT-CO2, SCO2, CBR3 CYP3A4 207/4885TDP1 4356/4885KCNN4 1871/4885
US-11912731-B2 Use of silylated formiates as hydrosilane equivalents PFAS, EPM2A, CYP2F1 CYP3A4 68/4885TDP1 2945/4885KCNN4 1467/4885
US-20160168043-A1 METHOD FOR THE METHYLATION OF NITROGEN-CONTAINING ORGANIC COMPOUNDS HNMT, PNMT, GNMT CYP3A4 374/4885TDP1 1954/4885KCNN4 1187/4885

“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.