SCHEMBL457356

SCHEMBL457356

Clc1cccc2ccc[c]c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 2/20 0.41
AHR P35869 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
NOS1 P29475 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GUSB P08236 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
SCHEMBL29207353 0.92 CYP1A2 (0.35) CYP1A2CYP2A6AHR
SCHEMBL10454827 0.77 CYP2A6 (0.45) CYP2A6
SCHEMBL1587165 0.76 ALDH1A1 (0.35) CYP1A2CYP2A6TSHRALDH1A1TDP1
SCHEMBL18242173 0.76
SCHEMBL6482087 0.75 ALDH1A1 (0.36) CYP1A2TSHRALDH1A1L3MBTL1
SCHEMBL4316327 0.73 CYP2A6 (0.38) CYP1A2CYP2A6AHRTSHRLMNA
SCHEMBL22749322 0.73 CYP2A6 (0.39) CYP2A6
SCHEMBL1193110 0.71 CYP2A6 (0.48) CYP1A2CYP2A6LMNAKMT2A
SCHEMBL456807 0.71 BACE1 (0.33) CYP2A6NOS1CA12CA9
SCHEMBL465027 0.71 CYP1A2 (0.36) CYP1A2CYP2A6TSHRLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983300-A Catalyst containing N-triptycene ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-116726998-A Catalyst containing biphosphine ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2023-09-12 CN claimed
CN-115353506-A 3-substituted phenanthridine compound, preparation method and application thereof, and pharmaceutical composition 苏州施安鼎泰生物医药技术有限公司 2022-11-18 CN claimed
CN-111989321-B KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2024-05-14 CN disclosed
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN disclosed
CN-117983300-A Catalyst containing N-triptycene ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN disclosed
US-20240101553-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-03-28 US disclosed
US-20230373999-A1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-11-23 US disclosed
CN-116726998-A Catalyst containing biphosphine ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2023-09-12 CN disclosed
EP-4229053-A1 METHODS AND COMPOSITIONS FOR TARGETED PROTEIN DEGRADATION Ranok Therapeutics (Hangzhou) Co. Ltd. (CN) 2023-08-23 EP disclosed
WO-2023125627-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND APPLICATION THEREOF LYNK PHARMACEUTICALS CO., LTD. (CN) 2023-07-06 WO disclosed
EP-0014402-B1 NOVEL 20-0-ACYLMAYTANSINOIDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Chemical Industries, Ltd. (JP) 1983-07-20 EP disclosed
US-4361650-A BACILLUS, STREPTOMYCES OR ACTINOMYCES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-11-30 US disclosed
EP-0004466-B1 DEMETHYL MAYTANSINOIDS AND METHODS FOR PRODUCING THEM Takeda Chemical Industries, Ltd. (JP) 1982-01-27 EP disclosed
US-4307016-A FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-22 US disclosed
US-4263294-A ANTITUMOUR AGENTS, ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-04-21 US disclosed
EP-0011302-A1 Maytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0004466-A1 Demethyl maytansinoids and methods for producing them Takeda Chemical Industries, Ltd. (JP) 1979-10-03 EP disclosed
US-4139537-A 3-Aryloxy-1-(2- or 4-iminodihydro-1-pyridyl)-2-propanol antiarrhythmic compounds COOPER LABORATORIES, INC. (US) 1979-02-13 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-20240101553-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CYP1A2 4667/4885CYP2A6 3834/4885AHR 2218/4885
US-20230373999-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS CYP1A2 4667/4885CYP2A6 3834/4885AHR 2218/4885

“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.