Propane

Propane

SCHEMBL2359635

CCC.c1ccc(P(NP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
KCNN4 O15554 1/20 0.39
TP53 P04637 1/20 0.38
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
GRM7 Q14831 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
PSIP1 O75475 1/20 0.32
TSHR P16473 2/20 0.32
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL321882 0.89 TDP1 (0.50) CYP3A4TDP1ESR1ESR2MTOR
SCHEMBL9288104 0.86 TDP1 (0.47) CYP3A4TDP1ESR1ESR2MTOR
SCHEMBL2155415 0.79 KCNN4 (0.44) CYP3A4TDP1KCNN4TP53ESR1
SCHEMBL31606955 0.79 CYP3A4 (0.41) CYP3A4TDP1ESR1ESR2TSHR
SCHEMBL17201445 0.78 SIGMAR1 (0.38) CYP3A4TDP1KCNN4TP53MTOR
SCHEMBL4203004 0.76 CYP3A4 (0.43) CYP3A4TDP1KCNN4ESR1ESR2
SCHEMBL30359275 0.75 ALDH1A1 (0.42) KDM4EMAPTTSHRSIGMAR1
Propane SCHEMBL28233649 0.75 CYP3A4 (0.75) CYP3A4TDP1KCNN4TP53ESR1
Propane SCHEMBL27796760 0.75 CYP3A4 (0.75) CYP3A4TDP1KCNN4TP53ESR1
SCHEMBL14707690 0.74 ALDH1A1 (0.47) CYP3A4TDP1RAB9AMAPTTAAR1

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-20110257352-A1 Amino phosphine NOVA Chemicals (International) S.A.. 2011-10-20 US disclosed
US-7994363-B2 Bis(bis(o-fluorophenyl)phosphino) isopropylamine; ethylene oligomerization catalyst; trimerization and tetramerization to 1-hexene and 1-octene also in the presence of a chromium source and a methalumoxane activator; further copolymerization, or separating 1-hexene by distillation; by-product inhibition NOVA CHEMICALS (INTERNATIONAL) S.A (CH) 2011-08-09 US disclosed
US-20080242811-A1 Amino phosphine NOVA CHEMICALS(INTERNATIONAL) S.A. 2008-10-02 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-20080242811-A1 Amino phosphine PAM, POF1B, PHOSPHO1 CYP3A4 3596/4885TDP1 1715/4885KCNN4 299/4885

“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.