Butane

Butane

SCHEMBL14935150

CCCC.O=C(CC(=O)OCc1ccc(Cl)cc1)OCc1ccc(Cl)cc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
POLB P06746 4/20 0.54
GAA P10253 4/20 0.54
KDM4E B2RXH2 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
AGTR1 P30556 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MMP2 P08253 2/20 0.46
CA9 Q16790 2/20 0.46

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
SCHEMBL8954202 0.93 MEN1 (0.58) ALDH1A1POLBGAAKDM4ECTDSP1
Butane SCHEMBL10964447 0.92 MAPT (0.52) ALDH1A1POLBGAAKDM4ECTDSP1
SCHEMBL27972311 0.89 MEN1 (0.52) ALDH1A1POLBGAAKDM4ECTDSP1
SCHEMBL2997100 0.86 MAPT (0.54) ALDH1A1POLBGAAKDM4ECTDSP1
SCHEMBL1709750 0.85 ALDH1A1 (0.52) ALDH1A1POLBGAAMAPTMEN1
SCHEMBL22750387 0.84 MEN1 (0.51) ALDH1A1POLBGAAKDM4ECTDSP1
SCHEMBL8954204 0.84 MEN1 (0.57) ALDH1A1POLBGAAKDM4EMAPT
Butane SCHEMBL14935067 0.82 POLB (0.54) ALDH1A1POLBKDM4ECTDSP1MAPT
SCHEMBL28553791 0.81 P2RX7 (0.56) ALDH1A1POLBGAAMAPTMEN1
SCHEMBL21652695 0.81 MGAM (0.62) ALDH1A1GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10197881-B2 Complimentary polymer electrochromic device ASHWIN-USHAS CORPORATION, INC. (US) 2019-02-05 US disclosed
US-20170184936-A1 Complimentary Polymer Electrochromic Device ASHWIN-USHAS CORP INC (US) 2017-06-29 US disclosed
EP-2780762-B1 COMPLIMENTARY POLYMER ELECTROCHROMIC DEVICE ASHWIN-USHAS CORP INC (US) 2017-06-28 EP disclosed
US-9594284-B2 Complimentary polymer electrochromic device ASHWIN-USHAS CORPORATION, INC. (US) 2017-03-14 US disclosed
US-9274395-B2 Complimentary polymer electrochromic device ASHWIN-USHAS CORPORATION, INC. (US) 2016-03-01 US disclosed
US-20150275385-A1 COMPLIMENTARY POLYMER ELECTROCHROMIC DEVICE ASHWIN USHAS CORP INC (US) 2015-10-01 US disclosed
EP-2780762-A1 COMPLIMENTARY POLYMER ELECTROCHROMIC DEVICE Ashwin-Ushas Corporation, Inc. (US) 2014-09-24 EP disclosed
WO-2013074702-A1 COMPLIMENTARY POLYMER ELECTROCHROMIC DEVICE ASHWIN-USHAS CORPORATION, INC. (US) 2013-05-23 WO disclosed
US-20130120821-A1 COMPLIMENTARY POLYMER ELECTROCHROMIC DEVICE ASHWIN-USHAS CORPORATION, INC. (US) 2013-05-16 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-10197881-B2 Complimentary polymer electrochromic device PMS2, PARG, EED ALDH1A1 4408/4885POLB 278/4885GAA 4109/4885
US-20130120821-A1 COMPLIMENTARY POLYMER ELECTROCHROMIC DEVICE PMS2, PARG, EED ALDH1A1 4408/4885POLB 278/4885GAA 4109/4885

“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.