SCHEMBL1795012

SCHEMBL1795012

Nc1cccc(C(=O)OCCCOC(=O)c2cccc(N)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
ADRB2 P07550 2/20 0.52
ADRB1 P08588 2/20 0.52
ADRB3 P13945 2/20 0.52
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
PDE4D Q08499 1/20 0.51
PBRM1 Q86U86 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SERPINE1 P05121 1/20 0.49
ELANE P08246 1/20 0.45

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
SCHEMBL1804032 0.96 TDP1 (0.61) TDP1ADRB2ADRB1ADRB3LMNA
SCHEMBL1928911 0.95 TDP1 (0.59) TDP1ADRB2ADRB1ADRB3LMNA
SCHEMBL5310805 0.95 TDP1 (0.59) TDP1ADRB2ADRB1ADRB3LMNA
Hydrochloric Acid SCHEMBL9751464 0.95 TDP1 (0.59) TDP1ADRB2ADRB1ADRB3LMNA
SCHEMBL1802562 0.93 ADRB2 (0.55) TDP1ADRB2ADRB1ADRB3LMNA
SCHEMBL8846590 0.92 TDP1 (0.51) TDP1ADRB2ADRB1ADRB3LMNA
SCHEMBL5175629 0.90 CYP1A2 (0.67) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL8780011 0.89 TDP1 (0.53) TDP1ADRB2ADRB1ADRB3LMNA
SCHEMBL28280195 0.89 ALDH1A1 (0.66) TDP1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL8846567 0.88 SLC7A5 (0.57) TDP1ADRB2ADRB1ADRB3LMNA

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-20160280976-A1 TWO-COMPONENT ADHESIVE NOLAX AG (CH) 2016-09-29 US disclosed
US-7951870-B2 Golf ball compositions having in-situ or reactive impact modified silicone-urea or silicone urethane ACUSHNET COMPANY (US) 2011-05-31 US disclosed
US-7825208-B2 Golf equipment formed from amine-adduct modified polyurea compositions ACUSHNET COMPANY (US) 2010-11-02 US disclosed
US-20100108260-A1 Two-Component Adhesive NOLAX AG (CH) 2010-05-06 US disclosed
US-7705102-B2 Coverings for golf balls of a polysiloxaneurea copolymer based on a polysiloxane having an oxirane-terminated end group reacted with adiamine followed by a diisocyanate; controllable kinetics; homogeneity;shrinkage inhibition; chemical resistance; thermoplastic resins ACUSHNET COMPANY (US) 2010-04-27 US disclosed
US-20070117656-A1 Golf ball compositions having in-situ or reactive impact modified silicone-urea or silicone urethane JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2007-05-24 US disclosed
US-20060178233-A1 Golf equipment formed from amine-adduct modified polyurea compositions JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-08-10 US disclosed
US-20060173139-A1 Golf equipment formed from amine-adduct modified polyurea compositions JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2006-08-03 US disclosed
US-20030212291-A1 Diamine curing agents for the preparation of polyurethane-urea elastomers CROMPTON CORPORATION 2003-11-13 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 (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-20030212291-A1 Diamine curing agents for the preparation of polyurethane-urea elastomers AOC1, DDC, UROD TDP1 1077/4885ADRB2 2174/4885ADRB1 2254/4885

“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.