SCHEMBL14935124

SCHEMBL14935124

O=[N+]([O-])c1ccc(CC(O)(CCO)Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
LOXL2 Q9Y4K0 1/20 0.47
CYP2C19 P33261 4/20 0.46
ALDH1A1 P00352 2/20 0.46
IDO1 P14902 4/20 0.43
AKR1C3 P42330 1/20 0.42
POLB P06746 1/20 0.42
FBP1 P09467 1/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 1/20 0.40
CES1 P23141 1/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 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
SCHEMBL679408 0.77 TSHR (0.58) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL26980906 0.77 TSHR (0.58) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL1627332 0.77 TSHR (0.53) TSHRLOXL2CYP2C19ALDH1A1IDO1
Ethylene Glycol SCHEMBL28236042 0.74 TSHR (0.71) TSHRLOXL2CYP2C19ALDH1A1POLB
SCHEMBL250473 0.74 TSHR (1.00) TSHRLOXL2CYP2C19ALDH1A1IDO1
Paranitrobenzyl Alcohol SCHEMBL114620 0.73 TSHR (0.69) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL11693499 0.73 TSHR (0.63) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL97944 0.73 LOXL2 (0.52) TSHRLOXL2CYP2C19ALDH1A1IDO1
SCHEMBL4404511 0.72 TSHR (0.49) TSHRLOXL2ALDH1A1IDO1POLB
SCHEMBL335896 0.72 TSHR (0.49) TSHRLOXL2ALDH1A1IDO1POLB

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 TSHR 2626/4885LOXL2 653/4885CYP2C19 1298/4885
US-20130120821-A1 COMPLIMENTARY POLYMER ELECTROCHROMIC DEVICE PMS2, PARG, EED TSHR 2626/4885LOXL2 653/4885CYP2C19 1298/4885

“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.