SCHEMBL557318

SCHEMBL557318

C=C(C(=O)O)c1c(C(C)c2cc(C(C)(C)CC)cc(C(C)(C)CC)c2O)cc(C(C)(C)CC)cc1C(C)(C)CC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RXRA P19793 4/20 0.32
PPARG P37231 4/20 0.32
RARG P13631 3/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30

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
SCHEMBL31049995 1.00 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
Phenol SCHEMBL31296058 0.89 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL3271701 0.86 MAPK1 (0.37) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL7132915 0.84 DAGLA (0.32) PPARG
SCHEMBL809525 0.83 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
Acrylic Acid SCHEMBL6447856 0.83 RXRA (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL4145602 0.81 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL809385 0.80 CYP3A4 (0.45) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL13951874 0.79 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL6899042 0.78 MEN1 (0.33) RXRAPPARGRARGMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269805-A Process for preparing polyisocyanate compositions 韩华思路信(株) 2022-04-01 CN claimed
EP-3854484-A2 GRINDING AID FOR GRINDING TITANIUM DIOXIDE Kronos International, Inc. (DE) 2021-07-28 EP claimed
EP-3331945-B1 PIPE FOR THE TRANSPORT OF WATER HAVING IMPROVED RESISTANCE TO CHLORINATED DISINFECTANTS SABIC GLOBAL TECHNOLOGIES BV (NL) 2020-10-07 EP claimed
EP-3494178-B1 ELASTOMERIC COMPOSITIONS AND THEIR APPLICATIONS DOW SILICONES CORP (US) 2020-06-03 EP claimed
US-20180223075-A1 PIPE FOR THE TRANSPORT OF WATER HAVING IMPROVED RESISTANCE TO CHLORINATED DISINFECTANTS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-08-09 US claimed
EP-3331945-A1 PIPE FOR THE TRANSPORT OF WATER HAVING IMPROVED RESISTANCE TO CHLORINATED DISINFECTANTS SABIC Global Technologies B.V. (NL) 2018-06-13 EP claimed
WO-2017021124-A1 PIPE FOR THE TRANSPORT OF WATER HAVING IMPROVED RESISTANCE TO CHLORINATED DISINFECTANTS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-02-09 WO claimed
US-20130109789-A1 OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING OLEFIN POLYMER, POLYPROPYLENE RESIN COMPOSITION AND ARTICLE COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 US claimed
EP-2213368-B1 Packaging body SUMITOMO CHEMICAL CO (JP) 2013-05-01 EP claimed
EP-2172512-B1 Granular stabilizer for polymer and production process thereof SUMITOMO CHEMICAL CO (JP) 2013-04-03 EP claimed
EP-1266935-B1 STYRENE COPOLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2008-08-13 EP claimed
EP-1394204-B1 BLOCK COPOLYMER COMPOSITION ASAHI CHEMICAL IND (JP) 2007-12-12 EP claimed
EP-1229059-B1 BLOCK COPOLYMER AND COMPOSITION THEREOF ASAHI CHEMICAL IND (JP) 2007-11-14 EP claimed
EP-1326915-B1 POLYOLEFIN ARTICLES WITH LONG-TERM ELEVATED TEMPERATURE STABILITY CLARIANT FINANCE BVI LTD (VG) 2005-11-09 EP claimed
EP-1341862-B1 PRESSURE-SENSITIVE ADHESIVE MASS AND THE USE THEREOF TESA AG (DE) 2005-06-22 EP claimed
EP-1341862-A2 PRESSURE-SENSITIVE ADHESIVE MASS AND THE USE THEREOF Tesa AG (DE) 2003-09-10 EP claimed
WO-2002038692-A2 PRESSURE-SENSITIVE ADHESIVE MASS AND THE USE THEREOF TESA AG (DE) 2002-05-16 WO claimed
EP-0697393-B1 Purification of bisphenol monoester SUMITOMO CHEMICAL CO (JP) 1999-08-25 EP claimed
EP-0534661-B1 Production of thermoplastic resin having high impact resistance SUMITOMO CHEMICAL CO (JP) 1997-01-15 EP claimed
EP-0500323-B1 Production of bisphenol monoester SUMITOMO CHEMICAL CO (JP) 1997-01-15 EP claimed

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-20180223075-A1 PIPE FOR THE TRANSPORT OF WATER HAVING IMPROVED RESISTANCE TO CHLORINATED DISINFECTANTS AQP1, POLI, AQP3 CYP1A2 746/4885CYP3A4 592/4885CYP2C9 1642/4885

“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.