SCHEMBL2125652

SCHEMBL2125652

CC(C)(C)C1CCC(F)(F)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
ATM Q13315 2/20 0.32
LIPA P38571 1/20 0.31
AQP1 P29972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL26151498 0.91 ALDH1A1 (0.32) ALDH1A1TDP1GAAUSP2MAPT
SCHEMBL23765253 0.84 ALDH1A1 (0.33) ALDH1A1TDP1GAAUSP2MAPT
SCHEMBL25474620 0.84 EPHX1 (0.31) ALDH1A1GAAUSP2MAPT
SCHEMBL23765298 0.84 ALDH1A1 (0.33) ALDH1A1TDP1GAAUSP2MAPT
SCHEMBL11932071 0.84 ALDH1A1 (0.33) ALDH1A1TDP1GAAUSP2MAPT
SCHEMBL9390303 0.81 ALDH1A1 (0.39) ALDH1A1TDP1GAAUSP2MAPT
SCHEMBL19386282 0.80 ALDH1A1 (0.32) ALDH1A1TDP1GAAUSP2MAPT
SCHEMBL25029022 0.79 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL6854928 0.79 ALDH1A1 (0.60) ALDH1A1TDP1
SCHEMBL22733404 0.79 TRPA1 (0.36) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2024-02-27 US disclosed
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use AMGEN INC. (US) 2024-02-27 US disclosed
WO-2024039829-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-02-22 WO disclosed
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2023-12-14 US disclosed
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS INCYTE CORPORATION 2023-12-14 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2023-11-23 US disclosed
US-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-09 US disclosed
US-6686509-B2 Process for producing α, α-difluorocycloalkane compound MITSUI CHEMICALS, INC. (JP) 2004-02-03 US disclosed
US-20030078460-A1 Process for producing alpha, alpha-difluorocycloalkane compound MITSUI CHEMICALS, INC. (JP) 2003-04-24 US disclosed
EP-1275631-A2 Fluorination with aminosulfur trifluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 2003-01-15 EP disclosed
EP-0908448-B1 Thermally stable aminosulfur trifluorides AIR PROD & CHEM (US) 2001-11-14 EP disclosed
US-6242645-B1 BIOLOGICAL ACTIVITY ENHANCER, DEOXOFLUORINATION AGENT OF INTEREST IN MEDICINAL AND AGROCHEMICAL PRODUCTS AIR PRODUCTS AND CHEMICALS, INC. 2001-06-05 US disclosed
US-6222064-B1 PERFORMING FLUORINATION BY CONTACTING ALCOHOLS, ALDEHYDES, KETONES, EPOXIDES, AND MIXTURES USING A FLUORINATING REAGENT COMPRISING AMINOSULFUR TRIFLUORIDE COMPOUND AIR PRODUCTS AND CHEMICALS, INC. 2001-04-24 US disclosed
US-6207860-B1 FLUORINATING AGENTS, FAR LESS POTENTIAL OF VIOLENT DECOMPOSITION AND ATTENDANT HIGH GASEOUS BY-PRODUCT EVOLVEMENT, USEFUL FOR DEOXOFLUORINATION OF ALCOHOLS AND KETONES, AIR PRODUCTS AND CHEMICALS, INC. 2001-03-27 US disclosed
US-6080886-A STABLE, EFFICIENT FLUORINATION WITH LESS POTENTIAL OF VIOLENT DECOMPOSITION AND ATTENDANT HIGH GASEOUS BY-PRODUCT EVOLVEMENT; PRODUCING SYNTHETIC DRUGS AND AGROCHEMICAL PRODUCTS AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-06-27 US disclosed
EP-0908448-A1 Thermally stable aminosulfur trifluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-04-14 EP disclosed
EP-0905109-A1 Fluorination with aminosulfur trifluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-03-31 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 (5 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-20230357260-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS THEREFOR, AND METHODS OF USES THEREOF TGFB1, TGFB2, TGFBR1 ALDH1A1 643/4885TDP1 3722/4885GAA 2469/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 ALDH1A1 1762/4885TDP1 3607/4885GAA 932/4885
US-11912711-B2 Heterocyclic compounds as triggering receptor expressed on myeloid cells 2 agonists and methods of use MSR1, FPR2, CD14 ALDH1A1 2654/4885TDP1 697/4885GAA 1670/4885
US-20230373972-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF F7, F11, HABP2 ALDH1A1 1218/4885TDP1 2472/4885GAA 2041/4885
US-20230399342-A1 TRICYCLIC TRIAZOLO COMPOUNDS AS DGK INHIBITORS DGKA, DGKI, DGKG ALDH1A1 4279/4885TDP1 639/4885GAA 960/4885

“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.