SCHEMBL92849

SCHEMBL92849

O=Nc1ccc(C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
TP53 P04637 1/20 0.63
TRPA1 O75762 1/20 0.60
CA2 P00918 5/20 0.58
CA1 P00915 4/20 0.58
CA12 O43570 2/20 0.58
CA9 Q16790 2/20 0.58
SRD5A2 P31213 2/20 0.55
CA3 P07451 1/20 0.52
TYR P14679 1/20 0.52
DRD1 P21728 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
KMT2A Q03164 2/20 0.52
ALOX15 P16050 1/20 0.50
DAO P14920 1/20 0.50

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
SCHEMBL9239144 0.93 BCL2L1 (0.56) TSHRTP53TRPA1CA2CA1
SCHEMBL9222754 0.87 ALDH1A1 (0.64) TSHRTP53TRPA1CA2CA1
SCHEMBL70162 0.81 TRPA1 (0.86) TSHRTP53TRPA1CA2CA1
SCHEMBL70163 0.81 TRPA1 (0.86) TSHRTP53TRPA1CA2CA1
SCHEMBL6038454 0.81 ADRA2A (0.56) TSHRTP53SRD5A2KMT2AALDH1A1
SCHEMBL9865481 0.81 TSHR (0.67) TSHRTP53TRPA1CA2CA1
SCHEMBL31702246 0.81 TRPA1 (0.86) TSHRTP53TRPA1CA2CA1
SCHEMBL3364649 0.81 TRPA1 (0.86) TSHRTP53TRPA1CA2CA1
Terephthalic Acid SCHEMBL27595349 0.80 TSHR (0.75) TSHRTP53TRPA1CA2CA1
Terephthalic Acid SCHEMBL5053781 0.80 TSHR (1.00) TSHRTP53CA2CA1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0170105-B1 BENZOIC ACID DERIVATIVES Shudo, Koichi, Prof. Dr. (JP) 1990-10-17 EP claimed
EP-0170105-A2 Benzoic acid derivatives Shudo, Koichi, Prof. Dr. (JP) 1986-02-05 EP claimed
CN-114345825-B Mask cleaning method, cleaning liquid, cleaning apparatus, and method for manufacturing organic device 大日本印刷株式会社 2023-08-22 CN disclosed
CN-115932027-A Electrochemical reaction intermediate detection and identification method based on mass spectrum 武汉大学 2023-04-07 CN disclosed
CN-114345825-A Mask cleaning method, cleaning liquid, cleaning apparatus, and method for manufacturing organic device 大日本印刷株式会社 2022-04-15 CN disclosed
WO-2021136390-A1 BLOOD COAGULATION FACTOR XIA INHIBITOR 上海京新生物医药有限公司 2021-07-08 WO disclosed
US-20210079037-A1 LIGHT-SWITCHABLE POLYPEPTIDE AND USES THEREOF Technische Universität München (DE) 2021-03-18 US disclosed
EP-3621983-A1 LIGHT-SWITCHABLE POLYPEPTIDE AND USES THEREOF Technische Universität München (DE) 2020-03-18 EP disclosed
CN-110637026-A Photoconverted polypeptides and uses thereof 慕尼黑工业大学 2019-12-31 CN disclosed
US-20190022071-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS, INC. 2019-01-24 US disclosed
WO-2018206738-A1 LIGHT-SWITCHABLE POLYPEPTIDE AND USES THEREOF Technische Universität München (DE) 2018-11-15 WO disclosed
EP-0670855-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1995-09-13 EP disclosed
US-5412044-A Nitro group terminated mesogenic epoxy resin adducts THE DOW CHEMICAL COMPANY (US) 1995-05-02 US disclosed
EP-0610014-A1 Silicone compositions for skin care DOW CORNING CORPORATION (US) 1994-08-10 EP disclosed
WO-1994012555-A1 NITRO OR NITROSO GROUP TERMINATED MESOGENIC EPOXY RESIN ADDUCTS THE DOW CHEMICAL COMPANY (US) 1994-06-09 WO disclosed
US-5298575-A Consists of at least one compound having more than one vicinal epoxide group and at least one amine terminated adduct containing one or more mesogenic moities THE DOW CHEMICAL COMPANY (US) 1994-03-29 US disclosed
EP-0170105-B1 BENZOIC ACID DERIVATIVES Shudo, Koichi, Prof. Dr. (JP) 1990-10-17 EP disclosed
US-4703110-A Benzoic acid derivatives having a para substituent which is a substituted phenyl group connected by a linking radical; useful in neoplastic cell differentiation and diagnosis Shudo, Koichi (JP) 1987-10-27 US disclosed
EP-0170105-A2 Benzoic acid derivatives Shudo, Koichi, Prof. Dr. (JP) 1986-02-05 EP disclosed
US-3979427-A RHODIUM TRICHLORIDE AND COBALT IODIDE CATALYST OLIN CORPORATION (US) 1976-09-07 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-20190022071-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS SMPD1, ELANE, SMPD2 TSHR 3266/4885TP53 4251/4885TRPA1 3362/4885

“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.