SCHEMBL282147

SCHEMBL282147

COc1cc(C)c(C=O)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
TSHR P16473 2/20 0.54
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
ERN1 O75460 6/20 0.48
PRKDC P78527 2/20 0.48
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRIA1 P42261 1/20 0.42
GRIA2 P42262 1/20 0.42
GRIA3 P42263 1/20 0.42
GRIA4 P48058 1/20 0.42
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
TLR6 Q9Y2C9 1/20 0.41

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
SCHEMBL697093 0.91 ALDH1A1 (0.59) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL18232228 0.89 ALDH1A1 (0.61) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL1494078 0.89 ALDH1A1 (0.68) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL29818672 0.87 ALDH1A1 (0.65) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL1534470 0.87 ALDH1A1 (0.72) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL24311483 0.87 ALDH1A1 (0.72) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL1039129 0.87 ALDH1A1 (0.72) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL8076637 0.84 ALDH1A1 (0.68) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL3639878 0.82 ERN1 (0.53) ALDH1A1TSHRKDM4ETDP1ERN1
SCHEMBL4621361 0.82 ALDH1A1 (0.48) ALDH1A1TSHRKDM4ETDP1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060084176-A1 Detection of uronium salts YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-04-20 US claimed
US-4380629-A Styryl-like compounds showing a color-developing and bleaching behavior with improved stability and prolonged lifetime MATSUSHITA ELECTRIC INDUSTRIAL COMPANY, LIMITED (JP) 1983-04-19 US claimed
US-4147862-A Method of preparing styryl-like compounds MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1979-04-03 US claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS Prosetta Antiviral, Inc. 2019-04-18 US disclosed
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds Prosetta Antiviral, Inc. (US) 2019-02-05 US disclosed
US-20180334436-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2018-11-22 US disclosed
EP-3383866-A1 TETRAHYDROISOQUINOLINE DERIVATIVES ViiV Healthcare UK Limited (GB) 2018-10-10 EP disclosed
EP-2552880-B1 PROCESS FOR PREPARING HYDROXY-SUBSTITUTED AROMATIC ALDEHYDES BASF SE (DE) 2018-03-07 EP disclosed
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-28 US disclosed
WO-2017093938-A1 TETRAHYDROISOQUINOLINE DERIVATIVES VIIV HEALTHCARE UK LIMITED (GB) 2017-06-08 WO disclosed
US-4314058-A Indolins styryl-like compounds MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1982-02-02 US disclosed
EP-0041675-A2 4-Halogen-5-(trichloromethyl-phenyl)-oxazole derivatives, process for preparing them and radiation-sensitive compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1981-12-16 EP disclosed
US-4147862-A Method of preparing styryl-like compounds MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1979-04-03 US disclosed
US-4139274-A Apparatus for changing color MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1979-02-13 US disclosed
US-4128648-A ANTIINFLAMMATORY E. R. SQUIBB & SONS, INC. (US) 1978-12-05 US disclosed
US-4003633-A Color display device MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JA) 1977-01-18 US disclosed
US-4002616-A POLYESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-11 US disclosed
US-3962220-A ONE-STEP, AROMATIC ALDEHYDES, ACETIC ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed
US-3962221-A CONDENSATION, REDUCTION, OXIDATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 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 (4 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-20190111044-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT ALDH1A1 3748/4885TSHR 4860/4885KDM4E 289/4885
US-10195189-B2 2-phenethenyltetrahydro isoquinolines useful as anti-HIV compounds MAVS, EIF2AK2, POLRMT ALDH1A1 3748/4885TSHR 4860/4885KDM4E 289/4885
US-20170368051-A1 2-PHENETHENYLTETRAHYDRO ISOQUINOLINES USEFUL AS ANTI-HIV COMPOUNDS MAVS, EIF2AK2, POLRMT ALDH1A1 3748/4885TSHR 4860/4885KDM4E 289/4885
US-20180334436-A1 TETRAHYDROISOQUINOLINE DERIVATIVES MAVS, EIF2AK2, SARS1 ALDH1A1 1159/4885TSHR 4141/4885KDM4E 3772/4885

“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.