SCHEMBL9300044

SCHEMBL9300044

CCCCCOC(=O)c1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.81
TSHR P16473 3/20 0.81
LMNA P02545 3/20 0.81
CYP1A2 P05177 2/20 0.81
CYP2C19 P33261 2/20 0.81
CYP2D6 P10635 1/20 0.81
MAPK1 P28482 1/20 0.81
NR1H2 P55055 1/20 0.81
RNASEL Q05823 1/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
ALDH1A1 P00352 2/20 0.70
CHRM1 P11229 1/20 0.70
SLC6A2 P23975 1/20 0.70
KDR P35968 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
NPC1 O15118 1/20 0.65
MAPT P10636 1/20 0.65
RAB9A P51151 1/20 0.65
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59

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
SCHEMBL9639785 0.98 ESR1 (0.79) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL8375812 0.98 ESR1 (0.79) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL7697420 0.98 ESR1 (0.79) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL9300662 0.98 ESR1 (0.79) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL9301273 0.95 ESR1 (0.90) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL1972693 0.95 ESR1 (0.90) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL1263037 0.93 ESR1 (0.87) ESR1TSHRLMNACYP1A2CYP2C19
SCHEMBL19834333 0.93 ESR1 (0.87) ESR1TSHRLMNACYP1A2CYP2C19
Hexyl 4-Hydroxybenzoate SCHEMBL374758 0.93 ESR1 (0.87) ESR1TSHRLMNACYP1A2CYP2C19
Nonyl 4-Hydroxybenzoate SCHEMBL187991 0.93 ESR1 (0.87) ESR1TSHRLMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723952-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2020-07-28 US disclosed
US-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-10-26 US disclosed
US-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-10-26 US disclosed
US-5298593-A Polymerization of ester monomer, aromatic dicarboxylic acid, and oxyaromatic carboxylic acid MITSUBISHI PETROCHEMICAL COMPANY, LTD. (JP) 1994-03-29 US disclosed
US-5229032-A Reacting p-aminobenzoic acid with sodium nitrite, then with alkylmercaptane, mineral acids to form alkylthiobenzoic acid, esterification SHOWA DENKO K.K. (JP) 1993-07-20 US disclosed
EP-0548808-A2 High polymer and ferroelectric liquid crystal composition utilizing same IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-06-30 EP disclosed
EP-0520428-A2 Method of producing thermotropic liquid crystalline polyester MITSUBISHI CHEMICAL CORPORATION (JP) 1992-12-30 EP 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-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY SMC4, PHOSPHO1, SMCHD1 ESR1 4306/4885TSHR 4855/4885LMNA 1080/4885
US-10723952-B2 Polymerizable compound and optically anisotropic body SMC4, SMCHD1, PHOSPHO1 ESR1 4289/4885TSHR 4868/4885LMNA 1073/4885

“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.