SCHEMBL896726

SCHEMBL896726

CCC(C)N(C(C)CC)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.42
ADH1A P07327 5/20 0.40
ADH1C P00326 4/20 0.40
ADH1B P00325 1/20 0.40
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.33
SLC2A1 P11166 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL2481387 0.83 SHBG (0.41) SHBGADH1AADH1CADH1BMEN1
SCHEMBL17053458 0.81 SHBG (0.39) SHBGADH1AADH1CADH1BMEN1
SCHEMBL17056102 0.81 SHBG (0.39) SHBGADH1AADH1CADH1BMEN1
SCHEMBL19414047 0.80 ADH1B (0.31) ADH1AADH1CADH1B
SCHEMBL19149252 0.79 SHBG (0.38) SHBGADH1AADH1CADH1BMEN1
SCHEMBL19150105 0.78 ALDH1A1 (0.38) SHBGADH1AADH1CADH1BMEN1
SCHEMBL17053457 0.78 SHBG (0.36) SHBGADH1AADH1CADH1BMEN1
SCHEMBL10777371 0.78 ADH1C (0.39) ADH1AADH1CADH1B
SCHEMBL17053490 0.78 SHBG (0.37) SHBGADH1AADH1CADH1BMEN1
SCHEMBL19148077 0.78 SHBG (0.37) SHBGADH1AADH1CADH1BMEN1

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105503946-B The manufacturing method of hydroxymethyl phosphonic acid ester, polyurethane foam formation composition, polyurethane foam and the product being made from it ICL-IP美国公司 2018-10-12 CN claimed
CN-105503946-A Method for making hydroxymethylphosphonate, polyurethane foam-forming compositions, polyurethane foam and articles made therefrom ICL-IP America Inc 2016-04-20 CN claimed
CN-102256987-B Hydroxymethylphosphonate, polyurethane foam-forming compositions, polyurethane foams, and methods of making articles made therefrom ICL-IP AMERICA INC. (US) 2016-01-13 CN claimed
US-9187504-B2 Method of making hydroxymethylphosphonate ICL-IP AMERICA INC. (US) 2015-11-17 US claimed
EP-2376507-B1 METHOD OF MAKING HYDROXYMETHYLPHOSPHONATES ICL IP AMERICA INC (US) 2013-05-15 EP claimed
US-8198341-B2 Method of making hydroxymethylphosphonate, polyurethane foam-forming compositions, polyurethane foam and articles made therefrom ICL-IP AMERICA INC. (US) 2012-06-12 US claimed
US-20110257287-A1 Method of Making Hydroxymethylphosphonate, Polyurethane Foam-Forming Compositions, Polyurethane Foam and Articles Made Therefrom STOWELL JEFFREY K 2011-10-20 US claimed
US-20100160468-A1 Method of making hydroxymethylphosphonate, polyurethane foam-forming compositions, polyurethane foam and articles made therefrom ICL-IP AMERICA INC. 2010-06-24 US claimed
US-6645091-B2 At least one layer and/or cover formed from polymer containing diisocyanate and ethylene glycol derivative having benzene or cyclohexane ring functionality; improved initial velocity and durability ACUSHNET COMPANY 2003-11-11 US claimed
US-20020098918-A1 Thermoplastic polyurethane golf ball with improved resiliency JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2002-07-25 US claimed
US-11760924-B2 Proppant with enhanced interparticle bonding PREFERRED TECHNOLOGY, LLC (US) 2023-09-19 US disclosed
US-20210403801-A1 PROPPANT WITH ENHANCED INTERPARTICLE BONDING PREFERRED TECHNOLOGY, LLC 2021-12-30 US disclosed
EP-3553068-B1 YDROXYMETHYLPHOSPHONATE, POLYURETHANE FOAM-FORMING COMPOSITIONS, POLYURETHANE FOAM AND ARTICLES MADE THEREFROM ICL IP AMERICA INC (US) 2021-04-28 EP disclosed
US-10544358-B2 Coated and cured proppants PREFERRED TECHNOLOGY, LLC (US) 2020-01-28 US disclosed
EP-3553068-A1 HYDROXYMETHYLPHOSPHONATE, POLYURETHANE FOAM-FORMING COMPOSITIONS, POLYURETHANE FOAM AND ARTICLES MADE THEREFROM ICL-IP America Inc. (US) 2019-10-16 EP disclosed
US-20020098918-A1 Thermoplastic polyurethane golf ball with improved resiliency JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2002-07-25 US disclosed
US-5973076-A MOLDING; CONTROLLING TEMPERATURE IN PRESENCE OF AN AMIDE COMPOUND NEW JAPAN CHEMICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0776933-B1 Polybutene-1 resin composition and a method of accelerating the crystal transformation NEW JAPAN CHEM CO LTD (JP) 1999-08-04 EP disclosed
EP-0776933-A1 Polybutene-1 resin composition and a method of accelerating the crystal transformation NEW JAPAN CHEMICAL CO.,LTD. (JP) 1997-06-04 EP disclosed
US-4137261-A Manufacture of N-vinyl-N-alkyl-carbamic acid chlorides BASF AKTIENGESELLSCHAFT (DE) 1979-01-30 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-20110257287-A1 Method of Making Hydroxymethylphosphonate, Polyurethane Foam-Forming Compositions, Polyurethane Foam and Articles Made Therefrom PFAS, PGM2, NEFM SHBG 2239/4885ADH1A 1854/4885ADH1C 1581/4885
US-20100160468-A1 Method of making hydroxymethylphosphonate, polyurethane foam-forming compositions, polyurethane foam and articles made therefrom PFAS, PGM2, NEFM SHBG 2239/4885ADH1A 1854/4885ADH1C 1581/4885

“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.